SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/6XRZ-576f685d/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 88 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -477.938463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.938463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.938463 (E_RNA)
where:
Base-Base interactions energy: -221.095
where: short stacking energy: -185.529
Base-Backbone interact. energy: -0.115
local terms energy: -256.728809
where:
bonds (distance) C4'-P energy: -58.387
bonds (distance) P-C4' energy: -66.873
flat angles C4'-P-C4' energy: -57.056
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: -39.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -441.813848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.813848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.813848 (E_RNA)
where:
Base-Base interactions energy: -195.949
where: short stacking energy: -192.393
Base-Backbone interact. energy: -0.545
local terms energy: -245.319940
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -418.893382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.893382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.893382 (E_RNA)
where:
Base-Base interactions energy: -191.227
where: short stacking energy: -168.062
Base-Backbone interact. energy: -0.465
local terms energy: -227.201871
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -51.323
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -403.673907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.673907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.673907 (E_RNA)
where:
Base-Base interactions energy: -186.811
where: short stacking energy: -146.509
Base-Backbone interact. energy: -0.317
local terms energy: -216.545683
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -58.922
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -355.064141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.064141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.064141 (E_RNA)
where:
Base-Base interactions energy: -148.010
where: short stacking energy: -113.898
Base-Backbone interact. energy: -1.015
local terms energy: -206.038867
where:
bonds (distance) C4'-P energy: -55.728
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -47.187
flat angles P-C4'-P energy: -36.896
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -359.362631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.362631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.362631 (E_RNA)
where:
Base-Base interactions energy: -137.612
where: short stacking energy: -127.991
Base-Backbone interact. energy: -0.644
local terms energy: -221.106758
where:
bonds (distance) C4'-P energy: -46.059
bonds (distance) P-C4' energy: -53.652
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -31.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -352.419791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.419791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.419791 (E_RNA)
where:
Base-Base interactions energy: -10.282
where: short stacking energy: -10.282
Base-Backbone interact. energy: -0.000
local terms energy: -342.137921
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -39.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -352.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.347606 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.175163
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -39.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -352.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.347606 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.175163
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -39.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -352.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.347606 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.175163
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -39.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -495.831889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.831889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.831889 (E_RNA)
where:
Base-Base interactions energy: -219.409
where: short stacking energy: -195.199
Base-Backbone interact. energy: 0.300
local terms energy: -276.723445
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -63.642
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -40.681
tors. eta vs tors. theta energy: -58.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -586.928826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.928826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.928826 (E_RNA)
where:
Base-Base interactions energy: -336.539
where: short stacking energy: -194.576
Base-Backbone interact. energy: -0.684
local terms energy: -249.706171
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -34.984
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -463.240956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.240956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.240956 (E_RNA)
where:
Base-Base interactions energy: -224.672
where: short stacking energy: -183.476
Base-Backbone interact. energy: 2.228
local terms energy: -240.796591
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -59.138
flat angles C4'-P-C4' energy: -49.639
flat angles P-C4'-P energy: -32.546
tors. eta vs tors. theta energy: -51.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -422.144648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.144648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.144648 (E_RNA)
where:
Base-Base interactions energy: -229.361
where: short stacking energy: -142.066
Base-Backbone interact. energy: -1.741
local terms energy: -191.042854
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -46.956
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -406.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.867277 (E_RNA)
where:
Base-Base interactions energy: -202.270
where: short stacking energy: -130.525
Base-Backbone interact. energy: 0.796
local terms energy: -205.392396
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -346.989937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.989937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.989937 (E_RNA)
where:
Base-Base interactions energy: -156.225
where: short stacking energy: -117.812
Base-Backbone interact. energy: -0.481
local terms energy: -190.283780
where:
bonds (distance) C4'-P energy: -56.167
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -22.044
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -351.447823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.447823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.447823 (E_RNA)
where:
Base-Base interactions energy: -168.432
where: short stacking energy: -112.434
Base-Backbone interact. energy: -1.762
local terms energy: -181.253418
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -55.934
flat angles C4'-P-C4' energy: -43.586
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -284.157533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.157533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.157533 (E_RNA)
where:
Base-Base interactions energy: -132.673
where: short stacking energy: -98.612
Base-Backbone interact. energy: 1.425
local terms energy: -152.909047
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -285.984080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.984080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.984080 (E_RNA)
where:
Base-Base interactions energy: -119.582
where: short stacking energy: -112.593
Base-Backbone interact. energy: -0.422
local terms energy: -165.979456
where:
bonds (distance) C4'-P energy: -41.561
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -273.497459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.497459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.497459 (E_RNA)
where:
Base-Base interactions energy: -96.361
where: short stacking energy: -82.569
Base-Backbone interact. energy: -1.492
local terms energy: -175.644435
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -42.019
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -680.878877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.878877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.878877 (E_RNA)
where:
Base-Base interactions energy: -416.221
where: short stacking energy: -206.640
Base-Backbone interact. energy: -1.376
local terms energy: -263.281592
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -59.039
flat angles P-C4'-P energy: -37.858
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -529.520169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.520169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.520169 (E_RNA)
where:
Base-Base interactions energy: -271.881
where: short stacking energy: -198.831
Base-Backbone interact. energy: -0.751
local terms energy: -256.887669
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -49.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -528.183920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.183920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.183920 (E_RNA)
where:
Base-Base interactions energy: -283.098
where: short stacking energy: -167.964
Base-Backbone interact. energy: 2.152
local terms energy: -247.237875
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -62.447
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -458.450162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.450162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.450162 (E_RNA)
where:
Base-Base interactions energy: -237.312
where: short stacking energy: -172.005
Base-Backbone interact. energy: -1.628
local terms energy: -219.509818
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -40.731
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -32.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -366.629324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.629324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.629324 (E_RNA)
where:
Base-Base interactions energy: -167.552
where: short stacking energy: -131.925
Base-Backbone interact. energy: -0.099
local terms energy: -198.978999
where:
bonds (distance) C4'-P energy: -52.228
bonds (distance) P-C4' energy: -54.726
flat angles C4'-P-C4' energy: -46.129
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -412.943987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.943987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.943987 (E_RNA)
where:
Base-Base interactions energy: -204.800
where: short stacking energy: -110.365
Base-Backbone interact. energy: -0.491
local terms energy: -207.652206
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -61.123
flat angles C4'-P-C4' energy: -56.570
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -393.891245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.891245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.891245 (E_RNA)
where:
Base-Base interactions energy: -206.232
where: short stacking energy: -116.516
Base-Backbone interact. energy: -2.538
local terms energy: -185.121889
where:
bonds (distance) C4'-P energy: -47.053
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -44.592
flat angles P-C4'-P energy: -25.962
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -326.820268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.820268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.820268 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -96.307
Base-Backbone interact. energy: -0.456
local terms energy: -191.438606
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -52.090
flat angles C4'-P-C4' energy: -39.630
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -260.711919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.711919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.711919 (E_RNA)
where:
Base-Base interactions energy: -92.078
where: short stacking energy: -75.097
Base-Backbone interact. energy: -1.662
local terms energy: -166.972542
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -51.074
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: 2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -237.288940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.288940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.288940 (E_RNA)
where:
Base-Base interactions energy: -79.237
where: short stacking energy: -58.060
Base-Backbone interact. energy: 1.766
local terms energy: -159.818455
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -58.180
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: 15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -711.687830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.687830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.687830 (E_RNA)
where:
Base-Base interactions energy: -447.110
where: short stacking energy: -218.435
Base-Backbone interact. energy: 2.280
local terms energy: -266.857421
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -53.661
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -54.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -651.232852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.232852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.232852 (E_RNA)
where:
Base-Base interactions energy: -384.478
where: short stacking energy: -224.389
Base-Backbone interact. energy: -1.599
local terms energy: -265.156114
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -53.834
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -57.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -560.379115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.379115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.379115 (E_RNA)
where:
Base-Base interactions energy: -333.609
where: short stacking energy: -176.271
Base-Backbone interact. energy: -2.425
local terms energy: -224.345564
where:
bonds (distance) C4'-P energy: -57.180
bonds (distance) P-C4' energy: -49.244
flat angles C4'-P-C4' energy: -46.885
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -30.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -447.585510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.585510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.585510 (E_RNA)
where:
Base-Base interactions energy: -238.036
where: short stacking energy: -161.102
Base-Backbone interact. energy: 2.332
local terms energy: -211.881509
where:
bonds (distance) C4'-P energy: -53.426
bonds (distance) P-C4' energy: -61.962
flat angles C4'-P-C4' energy: -40.659
flat angles P-C4'-P energy: -27.360
tors. eta vs tors. theta energy: -28.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -413.100141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.100141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.100141 (E_RNA)
where:
Base-Base interactions energy: -187.578
where: short stacking energy: -134.089
Base-Backbone interact. energy: -1.147
local terms energy: -224.375513
where:
bonds (distance) C4'-P energy: -51.305
bonds (distance) P-C4' energy: -62.473
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -390.177223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.177223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.177223 (E_RNA)
where:
Base-Base interactions energy: -185.005
where: short stacking energy: -122.633
Base-Backbone interact. energy: -0.549
local terms energy: -204.623847
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -52.351
flat angles P-C4'-P energy: -40.218
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -447.656791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.656791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.656791 (E_RNA)
where:
Base-Base interactions energy: -240.289
where: short stacking energy: -137.668
Base-Backbone interact. energy: 2.512
local terms energy: -209.879863
where:
bonds (distance) C4'-P energy: -47.143
bonds (distance) P-C4' energy: -58.606
flat angles C4'-P-C4' energy: -50.481
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -323.022549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.022549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.022549 (E_RNA)
where:
Base-Base interactions energy: -138.086
where: short stacking energy: -102.825
Base-Backbone interact. energy: 1.767
local terms energy: -186.703219
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -43.549
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -317.985525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.985525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.985525 (E_RNA)
where:
Base-Base interactions energy: -152.044
where: short stacking energy: -97.203
Base-Backbone interact. energy: 1.588
local terms energy: -167.529594
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -38.050
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -237.535800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.535800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.535800 (E_RNA)
where:
Base-Base interactions energy: -93.023
where: short stacking energy: -65.735
Base-Backbone interact. energy: 0.395
local terms energy: -144.907961
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: 16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -749.684705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.684705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.684705 (E_RNA)
where:
Base-Base interactions energy: -478.053
where: short stacking energy: -237.084
Base-Backbone interact. energy: -0.888
local terms energy: -270.743564
where:
bonds (distance) C4'-P energy: -48.427
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -58.527
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -68.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -645.683680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.683680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.683680 (E_RNA)
where:
Base-Base interactions energy: -390.069
where: short stacking energy: -225.874
Base-Backbone interact. energy: -0.531
local terms energy: -255.083231
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -60.407
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: -46.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -593.155746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.155746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.155746 (E_RNA)
where:
Base-Base interactions energy: -344.963
where: short stacking energy: -184.775
Base-Backbone interact. energy: -0.285
local terms energy: -247.908096
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -49.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -432.949948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.949948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.949948 (E_RNA)
where:
Base-Base interactions energy: -199.965
where: short stacking energy: -156.245
Base-Backbone interact. energy: 0.282
local terms energy: -233.266229
where:
bonds (distance) C4'-P energy: -61.516
bonds (distance) P-C4' energy: -56.234
flat angles C4'-P-C4' energy: -54.391
flat angles P-C4'-P energy: -27.480
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -433.623016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.623016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.623016 (E_RNA)
where:
Base-Base interactions energy: -227.485
where: short stacking energy: -131.872
Base-Backbone interact. energy: -1.522
local terms energy: -204.615781
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -60.887
flat angles C4'-P-C4' energy: -45.547
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -372.211131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.211131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.211131 (E_RNA)
where:
Base-Base interactions energy: -174.417
where: short stacking energy: -128.633
Base-Backbone interact. energy: 0.090
local terms energy: -197.883765
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -51.265
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -448.378991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.378991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.378991 (E_RNA)
where:
Base-Base interactions energy: -257.728
where: short stacking energy: -132.873
Base-Backbone interact. energy: -1.120
local terms energy: -189.531035
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -45.795
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -350.727930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.727930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.727930 (E_RNA)
where:
Base-Base interactions energy: -170.492
where: short stacking energy: -111.083
Base-Backbone interact. energy: 1.118
local terms energy: -181.354225
where:
bonds (distance) C4'-P energy: -52.155
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -316.564726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.564726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.564726 (E_RNA)
where:
Base-Base interactions energy: -135.603
where: short stacking energy: -78.861
Base-Backbone interact. energy: -0.285
local terms energy: -180.677239
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -59.325
flat angles C4'-P-C4' energy: -37.566
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: 0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -241.659140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.659140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.659140 (E_RNA)
where:
Base-Base interactions energy: -104.921
where: short stacking energy: -85.948
Base-Backbone interact. energy: 1.493
local terms energy: -138.231708
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: 11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -776.641642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.641642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.641642 (E_RNA)
where:
Base-Base interactions energy: -493.188
where: short stacking energy: -252.770
Base-Backbone interact. energy: -0.166
local terms energy: -283.287394
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -56.166
flat angles C4'-P-C4' energy: -65.982
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -72.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -686.560494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.560494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.560494 (E_RNA)
where:
Base-Base interactions energy: -424.979
where: short stacking energy: -212.827
Base-Backbone interact. energy: -2.263
local terms energy: -259.318465
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -37.518
tors. eta vs tors. theta energy: -57.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -591.726941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.726941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.726941 (E_RNA)
where:
Base-Base interactions energy: -360.323
where: short stacking energy: -183.698
Base-Backbone interact. energy: -1.350
local terms energy: -230.053567
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -51.047
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -37.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -452.165700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.165700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.165700 (E_RNA)
where:
Base-Base interactions energy: -248.246
where: short stacking energy: -150.602
Base-Backbone interact. energy: 0.375
local terms energy: -204.295044
where:
bonds (distance) C4'-P energy: -55.668
bonds (distance) P-C4' energy: -52.747
flat angles C4'-P-C4' energy: -51.346
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -374.885645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.885645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.885645 (E_RNA)
where:
Base-Base interactions energy: -161.195
where: short stacking energy: -131.741
Base-Backbone interact. energy: 0.823
local terms energy: -214.514159
where:
bonds (distance) C4'-P energy: -58.097
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -39.914
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -534.600446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.600446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.600446 (E_RNA)
where:
Base-Base interactions energy: -311.999
where: short stacking energy: -158.217
Base-Backbone interact. energy: 0.043
local terms energy: -222.644991
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -34.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -375.446275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.446275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.446275 (E_RNA)
where:
Base-Base interactions energy: -181.049
where: short stacking energy: -114.782
Base-Backbone interact. energy: 1.132
local terms energy: -195.528879
where:
bonds (distance) C4'-P energy: -53.388
bonds (distance) P-C4' energy: -53.516
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -30.126
tors. eta vs tors. theta energy: -11.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -322.312008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.312008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.312008 (E_RNA)
where:
Base-Base interactions energy: -162.191
where: short stacking energy: -98.446
Base-Backbone interact. energy: -1.059
local terms energy: -159.062728
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -49.210
flat angles C4'-P-C4' energy: -39.987
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -308.662475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.662475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.662475 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -80.996
Base-Backbone interact. energy: 0.206
local terms energy: -170.460185
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -44.277
flat angles C4'-P-C4' energy: -42.876
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -249.943982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.943982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.943982 (E_RNA)
where:
Base-Base interactions energy: -93.301
where: short stacking energy: -63.861
Base-Backbone interact. energy: 0.739
local terms energy: -157.381584
where:
bonds (distance) C4'-P energy: -43.625
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: 6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -774.004505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.004505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.004505 (E_RNA)
where:
Base-Base interactions energy: -484.018
where: short stacking energy: -236.604
Base-Backbone interact. energy: -0.708
local terms energy: -289.278563
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -59.444
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -63.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -703.967685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.967685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.967685 (E_RNA)
where:
Base-Base interactions energy: -448.654
where: short stacking energy: -225.434
Base-Backbone interact. energy: -1.286
local terms energy: -254.027988
where:
bonds (distance) C4'-P energy: -59.087
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -48.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -594.451739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.451739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.451739 (E_RNA)
where:
Base-Base interactions energy: -361.192
where: short stacking energy: -192.501
Base-Backbone interact. energy: 3.528
local terms energy: -236.787933
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -38.718
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -522.339531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.339531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.339531 (E_RNA)
where:
Base-Base interactions energy: -290.105
where: short stacking energy: -169.639
Base-Backbone interact. energy: 0.357
local terms energy: -232.591515
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: -30.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -569.001053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.001053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.001053 (E_RNA)
where:
Base-Base interactions energy: -347.616
where: short stacking energy: -179.279
Base-Backbone interact. energy: -1.041
local terms energy: -220.343698
where:
bonds (distance) C4'-P energy: -50.013
bonds (distance) P-C4' energy: -42.503
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -32.512
tors. eta vs tors. theta energy: -42.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -354.568748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.568748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.568748 (E_RNA)
where:
Base-Base interactions energy: -182.628
where: short stacking energy: -141.259
Base-Backbone interact. energy: -0.401
local terms energy: -171.539987
where:
bonds (distance) C4'-P energy: -45.915
bonds (distance) P-C4' energy: -52.475
flat angles C4'-P-C4' energy: -39.973
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -400.994696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.994696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.994696 (E_RNA)
where:
Base-Base interactions energy: -227.883
where: short stacking energy: -111.073
Base-Backbone interact. energy: -0.933
local terms energy: -172.179135
where:
bonds (distance) C4'-P energy: -36.980
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -46.162
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -356.461989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.461989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.461989 (E_RNA)
where:
Base-Base interactions energy: -180.477
where: short stacking energy: -99.270
Base-Backbone interact. energy: 0.146
local terms energy: -176.131417
where:
bonds (distance) C4'-P energy: -48.413
bonds (distance) P-C4' energy: -43.250
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -27.431
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -379.134636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.134636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.134636 (E_RNA)
where:
Base-Base interactions energy: -200.710
where: short stacking energy: -104.365
Base-Backbone interact. energy: -0.552
local terms energy: -177.872869
where:
bonds (distance) C4'-P energy: -37.898
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -42.650
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -253.287774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.287774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.287774 (E_RNA)
where:
Base-Base interactions energy: -75.838
where: short stacking energy: -62.042
Base-Backbone interact. energy: -1.966
local terms energy: -175.483743
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -778.974197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.974197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.974197 (E_RNA)
where:
Base-Base interactions energy: -504.268
where: short stacking energy: -229.841
Base-Backbone interact. energy: 1.275
local terms energy: -275.981242
where:
bonds (distance) C4'-P energy: -59.865
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -62.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -717.482879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.482879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.482879 (E_RNA)
where:
Base-Base interactions energy: -461.948
where: short stacking energy: -226.849
Base-Backbone interact. energy: 1.549
local terms energy: -257.084190
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -65.252
flat angles C4'-P-C4' energy: -61.237
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -51.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -665.231313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.231313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.231313 (E_RNA)
where:
Base-Base interactions energy: -401.890
where: short stacking energy: -182.075
Base-Backbone interact. energy: -1.223
local terms energy: -262.118278
where:
bonds (distance) C4'-P energy: -60.036
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -65.318
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -49.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -646.513953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.513953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.513953 (E_RNA)
where:
Base-Base interactions energy: -402.586
where: short stacking energy: -199.409
Base-Backbone interact. energy: -2.748
local terms energy: -241.179808
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -65.789
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: -35.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -530.932623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.932623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.932623 (E_RNA)
where:
Base-Base interactions energy: -317.279
where: short stacking energy: -181.497
Base-Backbone interact. energy: -0.979
local terms energy: -212.674693
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -52.490
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -34.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -436.067167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.067167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.067167 (E_RNA)
where:
Base-Base interactions energy: -225.052
where: short stacking energy: -132.523
Base-Backbone interact. energy: -3.352
local terms energy: -207.663654
where:
bonds (distance) C4'-P energy: -47.790
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -56.104
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -335.880059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.880059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.880059 (E_RNA)
where:
Base-Base interactions energy: -147.766
where: short stacking energy: -89.529
Base-Backbone interact. energy: 1.285
local terms energy: -189.398773
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -465.640229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.640229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.640229 (E_RNA)
where:
Base-Base interactions energy: -287.389
where: short stacking energy: -130.520
Base-Backbone interact. energy: 1.540
local terms energy: -179.791213
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -48.783
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -333.025655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.025655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.025655 (E_RNA)
where:
Base-Base interactions energy: -148.354
where: short stacking energy: -89.691
Base-Backbone interact. energy: -2.123
local terms energy: -182.548862
where:
bonds (distance) C4'-P energy: -47.658
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -47.574
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -261.251182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.251182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.251182 (E_RNA)
where:
Base-Base interactions energy: -116.912
where: short stacking energy: -82.463
Base-Backbone interact. energy: -1.782
local terms energy: -142.557603
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -44.368
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -786.566822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.566822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.566822 (E_RNA)
where:
Base-Base interactions energy: -508.988
where: short stacking energy: -247.322
Base-Backbone interact. energy: 0.295
local terms energy: -277.873727
where:
bonds (distance) C4'-P energy: -57.418
bonds (distance) P-C4' energy: -54.068
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -68.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -735.581676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.581676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.581676 (E_RNA)
where:
Base-Base interactions energy: -471.922
where: short stacking energy: -228.841
Base-Backbone interact. energy: -2.156
local terms energy: -261.503929
where:
bonds (distance) C4'-P energy: -55.843
bonds (distance) P-C4' energy: -50.889
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -55.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -664.043500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.043500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.043500 (E_RNA)
where:
Base-Base interactions energy: -419.402
where: short stacking energy: -209.500
Base-Backbone interact. energy: -0.132
local terms energy: -244.509824
where:
bonds (distance) C4'-P energy: -54.479
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -60.174
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -46.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -660.318817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.318817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.318817 (E_RNA)
where:
Base-Base interactions energy: -426.090
where: short stacking energy: -219.572
Base-Backbone interact. energy: -1.629
local terms energy: -232.599722
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -51.230
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -567.624618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.624618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.624618 (E_RNA)
where:
Base-Base interactions energy: -345.256
where: short stacking energy: -154.114
Base-Backbone interact. energy: -2.827
local terms energy: -219.541141
where:
bonds (distance) C4'-P energy: -45.192
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -28.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -451.163210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.163210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.163210 (E_RNA)
where:
Base-Base interactions energy: -247.549
where: short stacking energy: -114.940
Base-Backbone interact. energy: 0.767
local terms energy: -204.381428
where:
bonds (distance) C4'-P energy: -40.159
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -46.764
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -541.299158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.299158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.299158 (E_RNA)
where:
Base-Base interactions energy: -319.810
where: short stacking energy: -162.633
Base-Backbone interact. energy: -0.775
local terms energy: -220.714489
where:
bonds (distance) C4'-P energy: -51.230
bonds (distance) P-C4' energy: -57.615
flat angles C4'-P-C4' energy: -56.108
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -35.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -373.376117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.376117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.376117 (E_RNA)
where:
Base-Base interactions energy: -197.428
where: short stacking energy: -123.978
Base-Backbone interact. energy: -0.788
local terms energy: -175.160255
where:
bonds (distance) C4'-P energy: -39.543
bonds (distance) P-C4' energy: -44.259
flat angles C4'-P-C4' energy: -46.106
flat angles P-C4'-P energy: -28.621
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -259.498189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.498189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.498189 (E_RNA)
where:
Base-Base interactions energy: -96.214
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.569
local terms energy: -162.714792
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -47.006
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: 2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -272.004893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.004893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.004893 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -66.114
Base-Backbone interact. energy: -2.866
local terms energy: -153.826073
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: 13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -819.381189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.381189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.381189 (E_RNA)
where:
Base-Base interactions energy: -533.470
where: short stacking energy: -242.735
Base-Backbone interact. energy: -2.454
local terms energy: -283.456975
where:
bonds (distance) C4'-P energy: -53.560
bonds (distance) P-C4' energy: -59.913
flat angles C4'-P-C4' energy: -61.497
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -71.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -738.923958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.923958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.923958 (E_RNA)
where:
Base-Base interactions energy: -461.587
where: short stacking energy: -224.409
Base-Backbone interact. energy: -2.916
local terms energy: -274.421784
where:
bonds (distance) C4'-P energy: -55.922
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -59.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -669.275665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.275665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.275665 (E_RNA)
where:
Base-Base interactions energy: -426.422
where: short stacking energy: -209.504
Base-Backbone interact. energy: -0.150
local terms energy: -242.703152
where:
bonds (distance) C4'-P energy: -43.549
bonds (distance) P-C4' energy: -45.014
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -49.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -640.642246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.642246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.642246 (E_RNA)
where:
Base-Base interactions energy: -403.107
where: short stacking energy: -204.200
Base-Backbone interact. energy: -0.519
local terms energy: -237.016794
where:
bonds (distance) C4'-P energy: -58.239
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -50.371
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -39.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -576.449732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.449732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.449732 (E_RNA)
where:
Base-Base interactions energy: -363.361
where: short stacking energy: -158.167
Base-Backbone interact. energy: -1.222
local terms energy: -211.866310
where:
bonds (distance) C4'-P energy: -51.017
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -52.764
flat angles P-C4'-P energy: -30.331
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -539.394941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.394941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.394941 (E_RNA)
where:
Base-Base interactions energy: -301.393
where: short stacking energy: -158.273
Base-Backbone interact. energy: -1.449
local terms energy: -236.552495
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -62.489
flat angles P-C4'-P energy: -39.150
tors. eta vs tors. theta energy: -39.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -440.094677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.094677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.094677 (E_RNA)
where:
Base-Base interactions energy: -243.422
where: short stacking energy: -141.239
Base-Backbone interact. energy: -1.335
local terms energy: -195.337587
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -59.131
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -377.481170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.481170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.481170 (E_RNA)
where:
Base-Base interactions energy: -194.065
where: short stacking energy: -123.315
Base-Backbone interact. energy: -0.280
local terms energy: -183.136197
where:
bonds (distance) C4'-P energy: -50.624
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -44.265
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -264.217818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.217818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.217818 (E_RNA)
where:
Base-Base interactions energy: -90.191
where: short stacking energy: -72.253
Base-Backbone interact. energy: 1.737
local terms energy: -175.763815
where:
bonds (distance) C4'-P energy: -45.234
bonds (distance) P-C4' energy: -47.926
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -232.687391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687391 (E_RNA)
where:
Base-Base interactions energy: -79.688
where: short stacking energy: -50.300
Base-Backbone interact. energy: 0.345
local terms energy: -153.345092
where:
bonds (distance) C4'-P energy: -46.178
bonds (distance) P-C4' energy: -44.071
flat angles C4'-P-C4' energy: -42.739
flat angles P-C4'-P energy: -27.842
tors. eta vs tors. theta energy: 7.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -793.344126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.344126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.344126 (E_RNA)
where:
Base-Base interactions energy: -518.166
where: short stacking energy: -225.581
Base-Backbone interact. energy: -1.372
local terms energy: -273.805794
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -62.639
flat angles C4'-P-C4' energy: -51.323
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -67.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -766.149341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.149341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.149341 (E_RNA)
where:
Base-Base interactions energy: -476.698
where: short stacking energy: -235.618
Base-Backbone interact. energy: -0.379
local terms energy: -289.072298
where:
bonds (distance) C4'-P energy: -55.653
bonds (distance) P-C4' energy: -61.764
flat angles C4'-P-C4' energy: -61.529
flat angles P-C4'-P energy: -39.911
tors. eta vs tors. theta energy: -70.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -690.812409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.812409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.812409 (E_RNA)
where:
Base-Base interactions energy: -447.006
where: short stacking energy: -208.737
Base-Backbone interact. energy: -0.985
local terms energy: -242.821970
where:
bonds (distance) C4'-P energy: -42.049
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -53.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -655.930724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.930724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.930724 (E_RNA)
where:
Base-Base interactions energy: -417.506
where: short stacking energy: -193.890
Base-Backbone interact. energy: -2.531
local terms energy: -235.893549
where:
bonds (distance) C4'-P energy: -52.112
bonds (distance) P-C4' energy: -45.745
flat angles C4'-P-C4' energy: -60.333
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -40.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -661.734997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.734997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.734997 (E_RNA)
where:
Base-Base interactions energy: -398.250
where: short stacking energy: -203.947
Base-Backbone interact. energy: -1.048
local terms energy: -262.437414
where:
bonds (distance) C4'-P energy: -55.418
bonds (distance) P-C4' energy: -53.864
flat angles C4'-P-C4' energy: -55.747
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -57.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -500.515565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.515565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.515565 (E_RNA)
where:
Base-Base interactions energy: -296.376
where: short stacking energy: -158.198
Base-Backbone interact. energy: -0.320
local terms energy: -203.818882
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -47.760
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -399.562059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.562059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.562059 (E_RNA)
where:
Base-Base interactions energy: -188.998
where: short stacking energy: -117.254
Base-Backbone interact. energy: -0.935
local terms energy: -209.629475
where:
bonds (distance) C4'-P energy: -58.036
bonds (distance) P-C4' energy: -50.374
flat angles C4'-P-C4' energy: -48.554
flat angles P-C4'-P energy: -35.802
tors. eta vs tors. theta energy: -16.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -373.774758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.774758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.774758 (E_RNA)
where:
Base-Base interactions energy: -198.322
where: short stacking energy: -124.552
Base-Backbone interact. energy: 0.269
local terms energy: -175.721999
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -49.533
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -30.282
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -262.032032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.032032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.032032 (E_RNA)
where:
Base-Base interactions energy: -100.325
where: short stacking energy: -66.894
Base-Backbone interact. energy: -2.675
local terms energy: -159.031374
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -50.207
flat angles C4'-P-C4' energy: -41.965
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: 12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -254.492046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.492046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.492046 (E_RNA)
where:
Base-Base interactions energy: -108.172
where: short stacking energy: -69.656
Base-Backbone interact. energy: 4.863
local terms energy: -151.183423
where:
bonds (distance) C4'-P energy: -50.762
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -40.950
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: 11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -807.266229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.266229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.266229 (E_RNA)
where:
Base-Base interactions energy: -524.760
where: short stacking energy: -234.655
Base-Backbone interact. energy: -0.249
local terms energy: -282.257155
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -62.934
flat angles P-C4'-P energy: -45.648
tors. eta vs tors. theta energy: -68.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -777.610896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.610896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.610896 (E_RNA)
where:
Base-Base interactions energy: -497.168
where: short stacking energy: -252.812
Base-Backbone interact. energy: -0.177
local terms energy: -280.266100
where:
bonds (distance) C4'-P energy: -56.024
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -66.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -713.165701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.165701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.165701 (E_RNA)
where:
Base-Base interactions energy: -462.371
where: short stacking energy: -201.804
Base-Backbone interact. energy: 1.539
local terms energy: -252.333336
where:
bonds (distance) C4'-P energy: -57.874
bonds (distance) P-C4' energy: -58.377
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -40.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -678.750758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.750758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.750758 (E_RNA)
where:
Base-Base interactions energy: -423.497
where: short stacking energy: -226.124
Base-Backbone interact. energy: -0.338
local terms energy: -254.915700
where:
bonds (distance) C4'-P energy: -55.564
bonds (distance) P-C4' energy: -54.386
flat angles C4'-P-C4' energy: -50.953
flat angles P-C4'-P energy: -35.240
tors. eta vs tors. theta energy: -58.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -621.335877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.335877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.335877 (E_RNA)
where:
Base-Base interactions energy: -387.725
where: short stacking energy: -170.681
Base-Backbone interact. energy: -1.317
local terms energy: -232.294272
where:
bonds (distance) C4'-P energy: -42.365
bonds (distance) P-C4' energy: -55.131
flat angles C4'-P-C4' energy: -56.659
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -39.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -506.132103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.132103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.132103 (E_RNA)
where:
Base-Base interactions energy: -279.288
where: short stacking energy: -154.281
Base-Backbone interact. energy: 0.588
local terms energy: -227.431622
where:
bonds (distance) C4'-P energy: -48.808
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -53.157
flat angles P-C4'-P energy: -40.424
tors. eta vs tors. theta energy: -31.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -414.018982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.018982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.018982 (E_RNA)
where:
Base-Base interactions energy: -214.953
where: short stacking energy: -135.592
Base-Backbone interact. energy: -1.118
local terms energy: -197.947958
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -403.384817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.384817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.384817 (E_RNA)
where:
Base-Base interactions energy: -199.895
where: short stacking energy: -118.366
Base-Backbone interact. energy: -0.421
local terms energy: -203.069006
where:
bonds (distance) C4'-P energy: -55.638
bonds (distance) P-C4' energy: -51.789
flat angles C4'-P-C4' energy: -51.766
flat angles P-C4'-P energy: -32.258
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -257.620611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.620611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.620611 (E_RNA)
where:
Base-Base interactions energy: -118.721
where: short stacking energy: -66.214
Base-Backbone interact. energy: -1.620
local terms energy: -137.279800
where:
bonds (distance) C4'-P energy: -38.191
bonds (distance) P-C4' energy: -44.219
flat angles C4'-P-C4' energy: -38.564
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: 13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -228.869761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.869761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.869761 (E_RNA)
where:
Base-Base interactions energy: -89.103
where: short stacking energy: -77.047
Base-Backbone interact. energy: -0.500
local terms energy: -139.266360
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -45.097
flat angles C4'-P-C4' energy: -47.135
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: 9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -798.625897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.625897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.625897 (E_RNA)
where:
Base-Base interactions energy: -520.738
where: short stacking energy: -235.320
Base-Backbone interact. energy: -1.747
local terms energy: -276.141318
where:
bonds (distance) C4'-P energy: -56.642
bonds (distance) P-C4' energy: -63.903
flat angles C4'-P-C4' energy: -53.656
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -64.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -770.601591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.601591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.601591 (E_RNA)
where:
Base-Base interactions energy: -484.822
where: short stacking energy: -239.050
Base-Backbone interact. energy: 0.233
local terms energy: -286.013360
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -53.201
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -44.269
tors. eta vs tors. theta energy: -64.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -714.695680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.695680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.695680 (E_RNA)
where:
Base-Base interactions energy: -456.890
where: short stacking energy: -203.021
Base-Backbone interact. energy: 1.199
local terms energy: -259.004681
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -60.590
flat angles C4'-P-C4' energy: -59.060
flat angles P-C4'-P energy: -40.342
tors. eta vs tors. theta energy: -50.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -703.676135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.676135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.676135 (E_RNA)
where:
Base-Base interactions energy: -449.879
where: short stacking energy: -200.650
Base-Backbone interact. energy: -0.340
local terms energy: -253.457187
where:
bonds (distance) C4'-P energy: -55.564
bonds (distance) P-C4' energy: -45.488
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -51.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -598.038298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.038298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.038298 (E_RNA)
where:
Base-Base interactions energy: -378.483
where: short stacking energy: -188.619
Base-Backbone interact. energy: 0.720
local terms energy: -220.274967
where:
bonds (distance) C4'-P energy: -50.174
bonds (distance) P-C4' energy: -37.245
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -523.268337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.268337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.268337 (E_RNA)
where:
Base-Base interactions energy: -319.606
where: short stacking energy: -149.993
Base-Backbone interact. energy: -2.601
local terms energy: -201.061354
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -45.078
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -28.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -426.682408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.682408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.682408 (E_RNA)
where:
Base-Base interactions energy: -219.128
where: short stacking energy: -128.081
Base-Backbone interact. energy: -0.244
local terms energy: -207.310146
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -47.454
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -365.076984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.076984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.076984 (E_RNA)
where:
Base-Base interactions energy: -193.874
where: short stacking energy: -104.968
Base-Backbone interact. energy: -0.834
local terms energy: -170.368823
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -261.430303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.430303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.430303 (E_RNA)
where:
Base-Base interactions energy: -87.282
where: short stacking energy: -86.055
Base-Backbone interact. energy: -1.414
local terms energy: -172.734617
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -47.020
flat angles C4'-P-C4' energy: -45.417
flat angles P-C4'-P energy: -28.344
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -274.981891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.981891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.981891 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -73.063
Base-Backbone interact. energy: -1.267
local terms energy: -152.451919
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -28.103
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -815.194246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.194246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.194246 (E_RNA)
where:
Base-Base interactions energy: -539.616
where: short stacking energy: -248.535
Base-Backbone interact. energy: -1.289
local terms energy: -274.288333
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -65.971
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -65.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -749.494833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.494833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.494833 (E_RNA)
where:
Base-Base interactions energy: -472.929
where: short stacking energy: -222.096
Base-Backbone interact. energy: 0.013
local terms energy: -276.579190
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -59.937
flat angles C4'-P-C4' energy: -63.768
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -52.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -711.008448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.008448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.008448 (E_RNA)
where:
Base-Base interactions energy: -470.387
where: short stacking energy: -199.698
Base-Backbone interact. energy: -2.948
local terms energy: -237.673535
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -53.592
flat angles C4'-P-C4' energy: -45.768
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -45.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -694.752857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.752857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.752857 (E_RNA)
where:
Base-Base interactions energy: -447.916
where: short stacking energy: -191.542
Base-Backbone interact. energy: -2.638
local terms energy: -244.198460
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -53.756
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -48.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -594.293831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.293831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.293831 (E_RNA)
where:
Base-Base interactions energy: -378.428
where: short stacking energy: -180.033
Base-Backbone interact. energy: -2.010
local terms energy: -213.855898
where:
bonds (distance) C4'-P energy: -35.197
bonds (distance) P-C4' energy: -51.572
flat angles C4'-P-C4' energy: -50.120
flat angles P-C4'-P energy: -35.112
tors. eta vs tors. theta energy: -41.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -529.583576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.583576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.583576 (E_RNA)
where:
Base-Base interactions energy: -306.518
where: short stacking energy: -169.724
Base-Backbone interact. energy: -1.330
local terms energy: -221.735740
where:
bonds (distance) C4'-P energy: -45.876
bonds (distance) P-C4' energy: -59.387
flat angles C4'-P-C4' energy: -41.495
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -32.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -439.988155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.988155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.988155 (E_RNA)
where:
Base-Base interactions energy: -247.919
where: short stacking energy: -116.640
Base-Backbone interact. energy: -1.009
local terms energy: -191.060315
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -38.787
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -373.589933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.589933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.589933 (E_RNA)
where:
Base-Base interactions energy: -198.537
where: short stacking energy: -129.873
Base-Backbone interact. energy: -0.790
local terms energy: -174.263201
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -39.826
flat angles C4'-P-C4' energy: -41.020
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -11.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -263.509576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.509576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.509576 (E_RNA)
where:
Base-Base interactions energy: -103.642
where: short stacking energy: -87.796
Base-Backbone interact. energy: -0.374
local terms energy: -159.492817
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -36.613
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -248.730661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.730661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.730661 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -102.313
Base-Backbone interact. energy: 2.863
local terms energy: -137.609662
where:
bonds (distance) C4'-P energy: -41.491
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: 4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -833.039609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.039609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.039609 (E_RNA)
where:
Base-Base interactions energy: -553.689
where: short stacking energy: -246.788
Base-Backbone interact. energy: 1.332
local terms energy: -280.683051
where:
bonds (distance) C4'-P energy: -54.467
bonds (distance) P-C4' energy: -60.089
flat angles C4'-P-C4' energy: -55.695
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -62.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -755.617005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.617005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.617005 (E_RNA)
where:
Base-Base interactions energy: -493.488
where: short stacking energy: -226.466
Base-Backbone interact. energy: 1.729
local terms energy: -263.858495
where:
bonds (distance) C4'-P energy: -58.868
bonds (distance) P-C4' energy: -56.552
flat angles C4'-P-C4' energy: -65.541
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -45.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -795.554786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.554786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.554786 (E_RNA)
where:
Base-Base interactions energy: -522.378
where: short stacking energy: -248.623
Base-Backbone interact. energy: -0.030
local terms energy: -273.147444
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -59.523
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -68.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -722.739929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.739929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.739929 (E_RNA)
where:
Base-Base interactions energy: -470.507
where: short stacking energy: -200.753
Base-Backbone interact. energy: -4.014
local terms energy: -248.219503
where:
bonds (distance) C4'-P energy: -43.592
bonds (distance) P-C4' energy: -57.133
flat angles C4'-P-C4' energy: -61.957
flat angles P-C4'-P energy: -34.412
tors. eta vs tors. theta energy: -51.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -517.701315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.701315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.701315 (E_RNA)
where:
Base-Base interactions energy: -298.157
where: short stacking energy: -169.975
Base-Backbone interact. energy: -0.619
local terms energy: -218.925848
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -61.583
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -31.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -524.888857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.888857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.888857 (E_RNA)
where:
Base-Base interactions energy: -316.711
where: short stacking energy: -152.441
Base-Backbone interact. energy: 3.310
local terms energy: -211.487506
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -51.916
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -29.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -473.936127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.936127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.936127 (E_RNA)
where:
Base-Base interactions energy: -273.815
where: short stacking energy: -137.827
Base-Backbone interact. energy: 2.300
local terms energy: -202.421173
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -52.704
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -377.405005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.405005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.405005 (E_RNA)
where:
Base-Base interactions energy: -169.603
where: short stacking energy: -90.647
Base-Backbone interact. energy: -0.716
local terms energy: -207.085369
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -55.596
flat angles C4'-P-C4' energy: -57.729
flat angles P-C4'-P energy: -38.081
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -267.205678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.205678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.205678 (E_RNA)
where:
Base-Base interactions energy: -98.760
where: short stacking energy: -84.595
Base-Backbone interact. energy: -2.494
local terms energy: -165.952125
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -45.651
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -28.735
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -264.026205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.026205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.026205 (E_RNA)
where:
Base-Base interactions energy: -124.158
where: short stacking energy: -93.349
Base-Backbone interact. energy: -1.473
local terms energy: -138.394862
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -47.701
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: 7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -810.191733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.191733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.191733 (E_RNA)
where:
Base-Base interactions energy: -536.172
where: short stacking energy: -225.509
Base-Backbone interact. energy: -1.532
local terms energy: -272.487077
where:
bonds (distance) C4'-P energy: -56.322
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -64.326
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -56.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -782.282674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.282674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.282674 (E_RNA)
where:
Base-Base interactions energy: -514.082
where: short stacking energy: -241.490
Base-Backbone interact. energy: -2.256
local terms energy: -265.944477
where:
bonds (distance) C4'-P energy: -56.863
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -58.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -773.818158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.818158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.818158 (E_RNA)
where:
Base-Base interactions energy: -526.076
where: short stacking energy: -219.942
Base-Backbone interact. energy: -1.120
local terms energy: -246.622179
where:
bonds (distance) C4'-P energy: -60.675
bonds (distance) P-C4' energy: -53.114
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -713.181682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.181682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.181682 (E_RNA)
where:
Base-Base interactions energy: -466.039
where: short stacking energy: -204.802
Base-Backbone interact. energy: -2.829
local terms energy: -244.313659
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -53.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -600.260077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.260077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.260077 (E_RNA)
where:
Base-Base interactions energy: -353.432
where: short stacking energy: -168.602
Base-Backbone interact. energy: -3.032
local terms energy: -243.796075
where:
bonds (distance) C4'-P energy: -48.997
bonds (distance) P-C4' energy: -59.314
flat angles C4'-P-C4' energy: -56.900
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: -48.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -492.310543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.310543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.310543 (E_RNA)
where:
Base-Base interactions energy: -292.751
where: short stacking energy: -150.918
Base-Backbone interact. energy: -0.652
local terms energy: -198.907617
where:
bonds (distance) C4'-P energy: -52.318
bonds (distance) P-C4' energy: -48.808
flat angles C4'-P-C4' energy: -48.980
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -454.601334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.601334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.601334 (E_RNA)
where:
Base-Base interactions energy: -231.008
where: short stacking energy: -151.920
Base-Backbone interact. energy: 0.382
local terms energy: -223.975011
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -53.270
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -418.213250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.213250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.213250 (E_RNA)
where:
Base-Base interactions energy: -228.376
where: short stacking energy: -136.056
Base-Backbone interact. energy: -1.211
local terms energy: -188.626238
where:
bonds (distance) C4'-P energy: -47.934
bonds (distance) P-C4' energy: -38.927
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -248.430167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.430167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.430167 (E_RNA)
where:
Base-Base interactions energy: -87.460
where: short stacking energy: -83.217
Base-Backbone interact. energy: -0.651
local terms energy: -160.318877
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -50.654
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -249.982395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.982395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.982395 (E_RNA)
where:
Base-Base interactions energy: -81.783
where: short stacking energy: -78.079
Base-Backbone interact. energy: -1.868
local terms energy: -166.331222
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -45.620
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -819.339386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.339386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.339386 (E_RNA)
where:
Base-Base interactions energy: -525.240
where: short stacking energy: -249.620
Base-Backbone interact. energy: -0.518
local terms energy: -293.581773
where:
bonds (distance) C4'-P energy: -46.961
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -67.987
flat angles P-C4'-P energy: -42.729
tors. eta vs tors. theta energy: -73.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -782.512333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.512333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.512333 (E_RNA)
where:
Base-Base interactions energy: -503.369
where: short stacking energy: -251.790
Base-Backbone interact. energy: -2.999
local terms energy: -276.144980
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -58.159
flat angles P-C4'-P energy: -39.939
tors. eta vs tors. theta energy: -62.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -775.133445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.133445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.133445 (E_RNA)
where:
Base-Base interactions energy: -518.459
where: short stacking energy: -217.706
Base-Backbone interact. energy: -1.340
local terms energy: -255.334624
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -50.402
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -53.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -722.605274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.605274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.605274 (E_RNA)
where:
Base-Base interactions energy: -479.593
where: short stacking energy: -204.362
Base-Backbone interact. energy: 0.080
local terms energy: -243.091464
where:
bonds (distance) C4'-P energy: -50.856
bonds (distance) P-C4' energy: -53.284
flat angles C4'-P-C4' energy: -55.469
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -47.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -547.784520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.784520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.784520 (E_RNA)
where:
Base-Base interactions energy: -316.853
where: short stacking energy: -164.700
Base-Backbone interact. energy: -2.777
local terms energy: -228.154590
where:
bonds (distance) C4'-P energy: -54.788
bonds (distance) P-C4' energy: -62.546
flat angles C4'-P-C4' energy: -47.105
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -32.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -523.075035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.075035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.075035 (E_RNA)
where:
Base-Base interactions energy: -320.561
where: short stacking energy: -160.216
Base-Backbone interact. energy: 0.451
local terms energy: -202.964890
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -54.361
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -29.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -452.347542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.347542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.347542 (E_RNA)
where:
Base-Base interactions energy: -269.103
where: short stacking energy: -133.369
Base-Backbone interact. energy: -0.908
local terms energy: -182.337138
where:
bonds (distance) C4'-P energy: -42.425
bonds (distance) P-C4' energy: -55.743
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -448.217025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.217025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.217025 (E_RNA)
where:
Base-Base interactions energy: -248.804
where: short stacking energy: -114.989
Base-Backbone interact. energy: -1.578
local terms energy: -197.835268
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -47.686
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -326.571059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.571059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.571059 (E_RNA)
where:
Base-Base interactions energy: -164.643
where: short stacking energy: -84.173
Base-Backbone interact. energy: 0.179
local terms energy: -162.106521
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -239.525201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.525201 (E_RNA)
where:
Base-Base interactions energy: -80.918
where: short stacking energy: -80.918
Base-Backbone interact. energy: 2.078
local terms energy: -160.684969
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -41.141
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -27.712
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -836.603100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.603100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.603100 (E_RNA)
where:
Base-Base interactions energy: -573.033
where: short stacking energy: -253.755
Base-Backbone interact. energy: -1.238
local terms energy: -262.332202
where:
bonds (distance) C4'-P energy: -60.336
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -62.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -807.939478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.939478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.939478 (E_RNA)
where:
Base-Base interactions energy: -533.746
where: short stacking energy: -236.775
Base-Backbone interact. energy: -1.435
local terms energy: -272.758339
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -70.545
flat angles P-C4'-P energy: -33.404
tors. eta vs tors. theta energy: -55.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -768.360274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.360274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.360274 (E_RNA)
where:
Base-Base interactions energy: -519.655
where: short stacking energy: -234.675
Base-Backbone interact. energy: -0.852
local terms energy: -247.852451
where:
bonds (distance) C4'-P energy: -46.658
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -53.543
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -53.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -744.174124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.174124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.174124 (E_RNA)
where:
Base-Base interactions energy: -497.388
where: short stacking energy: -208.751
Base-Backbone interact. energy: 0.093
local terms energy: -246.879453
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -51.792
flat angles C4'-P-C4' energy: -57.380
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -46.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -615.672970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.672970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.672970 (E_RNA)
where:
Base-Base interactions energy: -385.601
where: short stacking energy: -188.482
Base-Backbone interact. energy: -1.427
local terms energy: -228.644915
where:
bonds (distance) C4'-P energy: -40.749
bonds (distance) P-C4' energy: -47.642
flat angles C4'-P-C4' energy: -49.290
flat angles P-C4'-P energy: -45.716
tors. eta vs tors. theta energy: -45.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -522.930705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.930705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.930705 (E_RNA)
where:
Base-Base interactions energy: -309.183
where: short stacking energy: -166.376
Base-Backbone interact. energy: 3.655
local terms energy: -217.403173
where:
bonds (distance) C4'-P energy: -45.278
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -55.836
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -496.767299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.767299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.767299 (E_RNA)
where:
Base-Base interactions energy: -319.977
where: short stacking energy: -156.099
Base-Backbone interact. energy: 0.157
local terms energy: -176.947257
where:
bonds (distance) C4'-P energy: -37.704
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -36.822
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -417.075548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.075548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.075548 (E_RNA)
where:
Base-Base interactions energy: -223.208
where: short stacking energy: -118.928
Base-Backbone interact. energy: -0.241
local terms energy: -193.626120
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -56.893
flat angles C4'-P-C4' energy: -42.951
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -284.454821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.454821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.454821 (E_RNA)
where:
Base-Base interactions energy: -116.632
where: short stacking energy: -82.915
Base-Backbone interact. energy: -1.491
local terms energy: -166.331550
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -44.620
flat angles C4'-P-C4' energy: -42.136
flat angles P-C4'-P energy: -32.062
tors. eta vs tors. theta energy: 3.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -232.624652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.624652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.624652 (E_RNA)
where:
Base-Base interactions energy: -71.079
where: short stacking energy: -59.775
Base-Backbone interact. energy: 0.197
local terms energy: -161.742486
where:
bonds (distance) C4'-P energy: -54.020
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -49.470
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: 13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -830.849161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.849161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.849161 (E_RNA)
where:
Base-Base interactions energy: -546.967
where: short stacking energy: -240.326
Base-Backbone interact. energy: -1.300
local terms energy: -282.582003
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -56.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -830.814412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.814412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.814412 (E_RNA)
where:
Base-Base interactions energy: -564.266
where: short stacking energy: -230.565
Base-Backbone interact. energy: -2.113
local terms energy: -264.434922
where:
bonds (distance) C4'-P energy: -55.256
bonds (distance) P-C4' energy: -56.726
flat angles C4'-P-C4' energy: -60.912
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -61.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -778.199019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.199019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.199019 (E_RNA)
where:
Base-Base interactions energy: -519.414
where: short stacking energy: -225.083
Base-Backbone interact. energy: 1.621
local terms energy: -260.405325
where:
bonds (distance) C4'-P energy: -57.408
bonds (distance) P-C4' energy: -45.693
flat angles C4'-P-C4' energy: -62.570
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -746.194397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.194397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.194397 (E_RNA)
where:
Base-Base interactions energy: -487.578
where: short stacking energy: -211.787
Base-Backbone interact. energy: -0.922
local terms energy: -257.694733
where:
bonds (distance) C4'-P energy: -54.231
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -40.071
tors. eta vs tors. theta energy: -53.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -659.615304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.615304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.615304 (E_RNA)
where:
Base-Base interactions energy: -426.405
where: short stacking energy: -212.030
Base-Backbone interact. energy: -1.615
local terms energy: -231.595558
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -43.479
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -42.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -507.155186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.155186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.155186 (E_RNA)
where:
Base-Base interactions energy: -299.844
where: short stacking energy: -153.514
Base-Backbone interact. energy: 0.163
local terms energy: -207.473499
where:
bonds (distance) C4'-P energy: -51.472
bonds (distance) P-C4' energy: -50.114
flat angles C4'-P-C4' energy: -56.266
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -529.559060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.559060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.559060 (E_RNA)
where:
Base-Base interactions energy: -335.203
where: short stacking energy: -151.527
Base-Backbone interact. energy: -1.049
local terms energy: -193.306227
where:
bonds (distance) C4'-P energy: -44.920
bonds (distance) P-C4' energy: -47.671
flat angles C4'-P-C4' energy: -39.046
flat angles P-C4'-P energy: -34.846
tors. eta vs tors. theta energy: -26.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -440.160290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.160290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.160290 (E_RNA)
where:
Base-Base interactions energy: -250.632
where: short stacking energy: -138.521
Base-Backbone interact. energy: 1.565
local terms energy: -191.093284
where:
bonds (distance) C4'-P energy: -39.019
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -44.838
flat angles P-C4'-P energy: -27.043
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -264.534712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.534712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.534712 (E_RNA)
where:
Base-Base interactions energy: -103.320
where: short stacking energy: -66.835
Base-Backbone interact. energy: 0.541
local terms energy: -161.755221
where:
bonds (distance) C4'-P energy: -63.002
bonds (distance) P-C4' energy: -58.204
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: 20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -269.303315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.303315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.303315 (E_RNA)
where:
Base-Base interactions energy: -107.242
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.656
local terms energy: -161.405248
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -45.039
flat angles C4'-P-C4' energy: -44.060
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: 13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -847.506668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.506668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.506668 (E_RNA)
where:
Base-Base interactions energy: -563.978
where: short stacking energy: -282.152
Base-Backbone interact. energy: -0.787
local terms energy: -282.741495
where:
bonds (distance) C4'-P energy: -59.399
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -72.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -831.932768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.932768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.932768 (E_RNA)
where:
Base-Base interactions energy: -567.026
where: short stacking energy: -239.457
Base-Backbone interact. energy: -1.280
local terms energy: -263.626627
where:
bonds (distance) C4'-P energy: -55.598
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -57.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -758.923501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.923501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.923501 (E_RNA)
where:
Base-Base interactions energy: -490.027
where: short stacking energy: -219.416
Base-Backbone interact. energy: -0.410
local terms energy: -268.486663
where:
bonds (distance) C4'-P energy: -57.655
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -57.387
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -55.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -725.455479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.455479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.455479 (E_RNA)
where:
Base-Base interactions energy: -473.260
where: short stacking energy: -212.282
Base-Backbone interact. energy: -1.534
local terms energy: -250.660601
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -60.160
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -50.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -648.221440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.221440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.221440 (E_RNA)
where:
Base-Base interactions energy: -399.994
where: short stacking energy: -196.500
Base-Backbone interact. energy: -0.888
local terms energy: -247.339664
where:
bonds (distance) C4'-P energy: -53.075
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -34.836
tors. eta vs tors. theta energy: -41.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -518.910880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.910880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.910880 (E_RNA)
where:
Base-Base interactions energy: -315.131
where: short stacking energy: -139.183
Base-Backbone interact. energy: 1.664
local terms energy: -205.443769
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -32.740
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -468.086510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.086510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.086510 (E_RNA)
where:
Base-Base interactions energy: -263.575
where: short stacking energy: -140.155
Base-Backbone interact. energy: -0.441
local terms energy: -204.070710
where:
bonds (distance) C4'-P energy: -47.617
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -58.912
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -493.375429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.375429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.375429 (E_RNA)
where:
Base-Base interactions energy: -279.088
where: short stacking energy: -152.424
Base-Backbone interact. energy: -0.289
local terms energy: -213.998649
where:
bonds (distance) C4'-P energy: -42.633
bonds (distance) P-C4' energy: -49.596
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -29.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -270.900014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.900014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.900014 (E_RNA)
where:
Base-Base interactions energy: -110.159
where: short stacking energy: -72.959
Base-Backbone interact. energy: -0.418
local terms energy: -160.322692
where:
bonds (distance) C4'-P energy: -48.784
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: 7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -238.004741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.004741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.004741 (E_RNA)
where:
Base-Base interactions energy: -84.228
where: short stacking energy: -68.798
Base-Backbone interact. energy: -1.406
local terms energy: -152.370011
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -45.785
flat angles C4'-P-C4' energy: -32.323
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -830.371292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.371292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.371292 (E_RNA)
where:
Base-Base interactions energy: -541.501
where: short stacking energy: -243.138
Base-Backbone interact. energy: -1.136
local terms energy: -287.734714
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -61.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -828.334747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.334747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.334747 (E_RNA)
where:
Base-Base interactions energy: -550.143
where: short stacking energy: -255.657
Base-Backbone interact. energy: -1.406
local terms energy: -276.785609
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -60.373
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -71.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -778.865295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.865295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.865295 (E_RNA)
where:
Base-Base interactions energy: -523.449
where: short stacking energy: -237.781
Base-Backbone interact. energy: 3.924
local terms energy: -259.340534
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -56.130
flat angles C4'-P-C4' energy: -50.034
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -58.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -752.153044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.153044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.153044 (E_RNA)
where:
Base-Base interactions energy: -498.897
where: short stacking energy: -233.696
Base-Backbone interact. energy: -0.284
local terms energy: -252.972226
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -36.676
tors. eta vs tors. theta energy: -58.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -652.129047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.129047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.129047 (E_RNA)
where:
Base-Base interactions energy: -407.219
where: short stacking energy: -201.086
Base-Backbone interact. energy: -1.722
local terms energy: -243.187729
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -57.782
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -55.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -504.727936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.727936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.727936 (E_RNA)
where:
Base-Base interactions energy: -318.681
where: short stacking energy: -134.861
Base-Backbone interact. energy: -0.192
local terms energy: -185.854687
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -44.892
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -574.915124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.915124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.915124 (E_RNA)
where:
Base-Base interactions energy: -360.291
where: short stacking energy: -177.851
Base-Backbone interact. energy: 1.295
local terms energy: -215.919215
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -44.268
flat angles P-C4'-P energy: -26.537
tors. eta vs tors. theta energy: -40.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -441.193012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.193012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.193012 (E_RNA)
where:
Base-Base interactions energy: -235.964
where: short stacking energy: -134.885
Base-Backbone interact. energy: -2.204
local terms energy: -203.025748
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -54.130
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -259.999516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.999516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.999516 (E_RNA)
where:
Base-Base interactions energy: -109.628
where: short stacking energy: -87.144
Base-Backbone interact. energy: 1.775
local terms energy: -152.145914
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -36.064
flat angles P-C4'-P energy: -29.988
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -303.483838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.483838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.483838 (E_RNA)
where:
Base-Base interactions energy: -126.406
where: short stacking energy: -97.751
Base-Backbone interact. energy: 1.945
local terms energy: -179.023093
where:
bonds (distance) C4'-P energy: -40.095
bonds (distance) P-C4' energy: -55.673
flat angles C4'-P-C4' energy: -44.297
flat angles P-C4'-P energy: -34.641
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -851.921177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.921177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.921177 (E_RNA)
where:
Base-Base interactions energy: -566.736
where: short stacking energy: -256.691
Base-Backbone interact. energy: -0.978
local terms energy: -284.206751
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -62.217
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -67.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -829.416140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.416140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.416140 (E_RNA)
where:
Base-Base interactions energy: -546.672
where: short stacking energy: -259.429
Base-Backbone interact. energy: -2.134
local terms energy: -280.610158
where:
bonds (distance) C4'-P energy: -46.843
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -63.767
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -69.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -754.458863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.458863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.458863 (E_RNA)
where:
Base-Base interactions energy: -509.977
where: short stacking energy: -219.783
Base-Backbone interact. energy: 1.067
local terms energy: -245.549765
where:
bonds (distance) C4'-P energy: -52.020
bonds (distance) P-C4' energy: -56.466
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -29.323
tors. eta vs tors. theta energy: -49.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -724.444259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.444259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.444259 (E_RNA)
where:
Base-Base interactions energy: -471.310
where: short stacking energy: -233.650
Base-Backbone interact. energy: -1.161
local terms energy: -251.973132
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -62.946
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -62.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -629.183845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.183845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.183845 (E_RNA)
where:
Base-Base interactions energy: -387.770
where: short stacking energy: -192.485
Base-Backbone interact. energy: -2.743
local terms energy: -238.670706
where:
bonds (distance) C4'-P energy: -39.800
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -58.880
flat angles P-C4'-P energy: -41.004
tors. eta vs tors. theta energy: -48.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -575.675665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.675665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.675665 (E_RNA)
where:
Base-Base interactions energy: -356.030
where: short stacking energy: -167.044
Base-Backbone interact. energy: -0.253
local terms energy: -219.393181
where:
bonds (distance) C4'-P energy: -47.366
bonds (distance) P-C4' energy: -51.907
flat angles C4'-P-C4' energy: -50.449
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -32.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -518.598676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.598676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.598676 (E_RNA)
where:
Base-Base interactions energy: -306.198
where: short stacking energy: -141.712
Base-Backbone interact. energy: 1.264
local terms energy: -213.664550
where:
bonds (distance) C4'-P energy: -48.528
bonds (distance) P-C4' energy: -55.805
flat angles C4'-P-C4' energy: -59.555
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -464.340848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.340848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.340848 (E_RNA)
where:
Base-Base interactions energy: -276.661
where: short stacking energy: -133.792
Base-Backbone interact. energy: -2.708
local terms energy: -184.971764
where:
bonds (distance) C4'-P energy: -55.275
bonds (distance) P-C4' energy: -40.848
flat angles C4'-P-C4' energy: -39.913
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -265.382077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.382077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.382077 (E_RNA)
where:
Base-Base interactions energy: -116.895
where: short stacking energy: -84.141
Base-Backbone interact. energy: 6.425
local terms energy: -154.912303
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -48.783
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -334.692438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.692438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.692438 (E_RNA)
where:
Base-Base interactions energy: -175.108
where: short stacking energy: -119.086
Base-Backbone interact. energy: -1.386
local terms energy: -158.197946
where:
bonds (distance) C4'-P energy: -42.182
bonds (distance) P-C4' energy: -49.449
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -846.665214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.665214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.665214 (E_RNA)
where:
Base-Base interactions energy: -559.114
where: short stacking energy: -251.461
Base-Backbone interact. energy: -0.482
local terms energy: -287.069400
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -62.448
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -71.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -834.674472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.674472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.674472 (E_RNA)
where:
Base-Base interactions energy: -555.322
where: short stacking energy: -244.842
Base-Backbone interact. energy: -0.679
local terms energy: -278.672971
where:
bonds (distance) C4'-P energy: -48.523
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -66.511
flat angles P-C4'-P energy: -37.463
tors. eta vs tors. theta energy: -66.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -786.836293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.836293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.836293 (E_RNA)
where:
Base-Base interactions energy: -540.262
where: short stacking energy: -232.926
Base-Backbone interact. energy: -1.923
local terms energy: -244.651917
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -61.334
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: -59.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -713.394322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.394322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.394322 (E_RNA)
where:
Base-Base interactions energy: -468.135
where: short stacking energy: -199.672
Base-Backbone interact. energy: -2.363
local terms energy: -242.895596
where:
bonds (distance) C4'-P energy: -55.837
bonds (distance) P-C4' energy: -57.402
flat angles C4'-P-C4' energy: -48.065
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: -40.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -640.630048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.630048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.630048 (E_RNA)
where:
Base-Base interactions energy: -392.614
where: short stacking energy: -180.747
Base-Backbone interact. energy: -1.241
local terms energy: -246.775416
where:
bonds (distance) C4'-P energy: -53.569
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -59.733
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -44.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -665.845178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.845178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.845178 (E_RNA)
where:
Base-Base interactions energy: -419.430
where: short stacking energy: -191.028
Base-Backbone interact. energy: 1.749
local terms energy: -248.164379
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -60.311
flat angles C4'-P-C4' energy: -56.879
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: -39.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -499.740065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.740065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.740065 (E_RNA)
where:
Base-Base interactions energy: -309.102
where: short stacking energy: -153.120
Base-Backbone interact. energy: -1.350
local terms energy: -189.287101
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -50.870
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -457.768133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.768133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.768133 (E_RNA)
where:
Base-Base interactions energy: -245.704
where: short stacking energy: -128.321
Base-Backbone interact. energy: -0.755
local terms energy: -211.309654
where:
bonds (distance) C4'-P energy: -46.048
bonds (distance) P-C4' energy: -53.894
flat angles C4'-P-C4' energy: -49.562
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -343.326353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.326353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.326353 (E_RNA)
where:
Base-Base interactions energy: -160.531
where: short stacking energy: -101.411
Base-Backbone interact. energy: 1.429
local terms energy: -184.224469
where:
bonds (distance) C4'-P energy: -58.196
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -38.295
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -254.515111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.515111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.515111 (E_RNA)
where:
Base-Base interactions energy: -88.016
where: short stacking energy: -78.851
Base-Backbone interact. energy: -1.968
local terms energy: -164.531549
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -59.001
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -855.951774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.951774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.951774 (E_RNA)
where:
Base-Base interactions energy: -559.000
where: short stacking energy: -250.907
Base-Backbone interact. energy: 1.055
local terms energy: -298.006097
where:
bonds (distance) C4'-P energy: -58.816
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -60.893
flat angles P-C4'-P energy: -50.775
tors. eta vs tors. theta energy: -75.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -823.283730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.283730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.283730 (E_RNA)
where:
Base-Base interactions energy: -544.573
where: short stacking energy: -251.773
Base-Backbone interact. energy: -2.081
local terms energy: -276.630136
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -63.206
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: -66.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -801.709472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.709472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.709472 (E_RNA)
where:
Base-Base interactions energy: -512.439
where: short stacking energy: -241.685
Base-Backbone interact. energy: -0.855
local terms energy: -288.416259
where:
bonds (distance) C4'-P energy: -57.170
bonds (distance) P-C4' energy: -51.692
flat angles C4'-P-C4' energy: -63.072
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -71.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -750.299829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.299829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.299829 (E_RNA)
where:
Base-Base interactions energy: -519.699
where: short stacking energy: -215.543
Base-Backbone interact. energy: -0.812
local terms energy: -229.788660
where:
bonds (distance) C4'-P energy: -46.468
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -57.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -623.690655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.690655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.690655 (E_RNA)
where:
Base-Base interactions energy: -411.771
where: short stacking energy: -180.351
Base-Backbone interact. energy: -1.040
local terms energy: -210.879201
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -29.776
tors. eta vs tors. theta energy: -29.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -706.853030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.853030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.853030 (E_RNA)
where:
Base-Base interactions energy: -474.918
where: short stacking energy: -221.478
Base-Backbone interact. energy: -0.689
local terms energy: -231.245310
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -52.045
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -49.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -527.592115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.592115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.592115 (E_RNA)
where:
Base-Base interactions energy: -313.821
where: short stacking energy: -153.200
Base-Backbone interact. energy: 0.120
local terms energy: -213.890420
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -52.617
flat angles C4'-P-C4' energy: -57.263
flat angles P-C4'-P energy: -30.698
tors. eta vs tors. theta energy: -28.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -498.426208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.426208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.426208 (E_RNA)
where:
Base-Base interactions energy: -289.960
where: short stacking energy: -134.856
Base-Backbone interact. energy: -0.601
local terms energy: -207.865586
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -63.860
flat angles C4'-P-C4' energy: -54.260
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -383.402062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.402062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.402062 (E_RNA)
where:
Base-Base interactions energy: -223.977
where: short stacking energy: -118.389
Base-Backbone interact. energy: 0.946
local terms energy: -160.370440
where:
bonds (distance) C4'-P energy: -47.128
bonds (distance) P-C4' energy: -41.207
flat angles C4'-P-C4' energy: -40.057
flat angles P-C4'-P energy: -28.673
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -290.829996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.829996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.829996 (E_RNA)
where:
Base-Base interactions energy: -118.080
where: short stacking energy: -88.687
Base-Backbone interact. energy: -1.196
local terms energy: -171.554716
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -50.304
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -836.427156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.427156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.427156 (E_RNA)
where:
Base-Base interactions energy: -552.101
where: short stacking energy: -232.647
Base-Backbone interact. energy: -2.181
local terms energy: -282.145478
where:
bonds (distance) C4'-P energy: -59.416
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -63.335
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: -65.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -826.501322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.501322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.501322 (E_RNA)
where:
Base-Base interactions energy: -559.383
where: short stacking energy: -250.836
Base-Backbone interact. energy: -1.072
local terms energy: -266.045625
where:
bonds (distance) C4'-P energy: -62.528
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -51.470
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: -61.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -781.940953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.940953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.940953 (E_RNA)
where:
Base-Base interactions energy: -512.539
where: short stacking energy: -244.535
Base-Backbone interact. energy: -1.027
local terms energy: -268.375271
where:
bonds (distance) C4'-P energy: -56.524
bonds (distance) P-C4' energy: -58.382
flat angles C4'-P-C4' energy: -49.715
flat angles P-C4'-P energy: -39.772
tors. eta vs tors. theta energy: -63.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -766.453998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.453998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.453998 (E_RNA)
where:
Base-Base interactions energy: -508.030
where: short stacking energy: -237.780
Base-Backbone interact. energy: -0.532
local terms energy: -257.891656
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -48.551
flat angles C4'-P-C4' energy: -49.515
flat angles P-C4'-P energy: -38.101
tors. eta vs tors. theta energy: -64.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -772.105000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.105000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.105000 (E_RNA)
where:
Base-Base interactions energy: -520.349
where: short stacking energy: -231.764
Base-Backbone interact. energy: -1.818
local terms energy: -249.937966
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -57.832
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -62.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -597.694551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.694551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.694551 (E_RNA)
where:
Base-Base interactions energy: -388.901
where: short stacking energy: -174.348
Base-Backbone interact. energy: -1.495
local terms energy: -207.297838
where:
bonds (distance) C4'-P energy: -58.801
bonds (distance) P-C4' energy: -41.011
flat angles C4'-P-C4' energy: -42.333
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -512.251029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.251029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.251029 (E_RNA)
where:
Base-Base interactions energy: -321.475
where: short stacking energy: -151.044
Base-Backbone interact. energy: 3.620
local terms energy: -194.396323
where:
bonds (distance) C4'-P energy: -48.104
bonds (distance) P-C4' energy: -46.893
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -489.553796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.553796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.553796 (E_RNA)
where:
Base-Base interactions energy: -305.539
where: short stacking energy: -147.516
Base-Backbone interact. energy: -0.446
local terms energy: -183.568587
where:
bonds (distance) C4'-P energy: -52.160
bonds (distance) P-C4' energy: -47.079
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -27.553
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -413.177410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.177410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.177410 (E_RNA)
where:
Base-Base interactions energy: -245.164
where: short stacking energy: -130.642
Base-Backbone interact. energy: -0.808
local terms energy: -167.206000
where:
bonds (distance) C4'-P energy: -32.969
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -40.974
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -254.151761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.151761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.151761 (E_RNA)
where:
Base-Base interactions energy: -81.293
where: short stacking energy: -54.645
Base-Backbone interact. energy: 0.429
local terms energy: -173.288682
where:
bonds (distance) C4'-P energy: -54.170
bonds (distance) P-C4' energy: -54.846
flat angles C4'-P-C4' energy: -38.951
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -876.904169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.904169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.904169 (E_RNA)
where:
Base-Base interactions energy: -591.833
where: short stacking energy: -247.490
Base-Backbone interact. energy: -0.299
local terms energy: -284.772382
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -52.940
flat angles C4'-P-C4' energy: -60.971
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: -77.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -853.240867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.240867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.240867 (E_RNA)
where:
Base-Base interactions energy: -561.217
where: short stacking energy: -251.973
Base-Backbone interact. energy: -0.766
local terms energy: -291.257965
where:
bonds (distance) C4'-P energy: -56.859
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -69.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -788.234976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.234976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.234976 (E_RNA)
where:
Base-Base interactions energy: -532.136
where: short stacking energy: -239.241
Base-Backbone interact. energy: 0.101
local terms energy: -256.200678
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -53.996
flat angles C4'-P-C4' energy: -54.099
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -59.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -767.291548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.291548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.291548 (E_RNA)
where:
Base-Base interactions energy: -506.699
where: short stacking energy: -217.179
Base-Backbone interact. energy: -0.202
local terms energy: -260.391104
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -58.409
flat angles C4'-P-C4' energy: -57.313
flat angles P-C4'-P energy: -40.301
tors. eta vs tors. theta energy: -56.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -736.418747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.418747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.418747 (E_RNA)
where:
Base-Base interactions energy: -506.857
where: short stacking energy: -191.751
Base-Backbone interact. energy: -0.249
local terms energy: -229.312822
where:
bonds (distance) C4'-P energy: -54.564
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -41.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -584.010970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.010970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.010970 (E_RNA)
where:
Base-Base interactions energy: -373.941
where: short stacking energy: -184.402
Base-Backbone interact. energy: -0.551
local terms energy: -209.518783
where:
bonds (distance) C4'-P energy: -44.490
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -50.017
flat angles P-C4'-P energy: -26.303
tors. eta vs tors. theta energy: -30.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -610.141267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.141267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.141267 (E_RNA)
where:
Base-Base interactions energy: -396.368
where: short stacking energy: -175.741
Base-Backbone interact. energy: -1.211
local terms energy: -212.561697
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -42.151
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -41.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -482.714202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.714202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.714202 (E_RNA)
where:
Base-Base interactions energy: -275.610
where: short stacking energy: -122.921
Base-Backbone interact. energy: -1.018
local terms energy: -206.086258
where:
bonds (distance) C4'-P energy: -48.246
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -37.558
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -410.069551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.069551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.069551 (E_RNA)
where:
Base-Base interactions energy: -254.615
where: short stacking energy: -120.515
Base-Backbone interact. energy: -1.261
local terms energy: -154.193966
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -41.918
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -23.343
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -240.254817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.254817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.254817 (E_RNA)
where:
Base-Base interactions energy: -80.180
where: short stacking energy: -74.028
Base-Backbone interact. energy: -0.589
local terms energy: -159.485467
where:
bonds (distance) C4'-P energy: -37.469
bonds (distance) P-C4' energy: -47.941
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -878.439137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.439137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.439137 (E_RNA)
where:
Base-Base interactions energy: -590.239
where: short stacking energy: -248.983
Base-Backbone interact. energy: 0.217
local terms energy: -288.417156
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -61.975
flat angles C4'-P-C4' energy: -66.504
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -67.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -831.907426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.907426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.907426 (E_RNA)
where:
Base-Base interactions energy: -555.269
where: short stacking energy: -245.950
Base-Backbone interact. energy: -1.065
local terms energy: -275.573357
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -60.795
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -70.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -854.052781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.052781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.052781 (E_RNA)
where:
Base-Base interactions energy: -579.329
where: short stacking energy: -264.017
Base-Backbone interact. energy: -0.814
local terms energy: -273.910069
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -57.199
flat angles C4'-P-C4' energy: -50.356
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -75.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -779.066378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.066378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.066378 (E_RNA)
where:
Base-Base interactions energy: -510.504
where: short stacking energy: -225.505
Base-Backbone interact. energy: -1.117
local terms energy: -267.445269
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -63.909
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -61.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -723.522710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.522710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.522710 (E_RNA)
where:
Base-Base interactions energy: -477.099
where: short stacking energy: -197.305
Base-Backbone interact. energy: -0.668
local terms energy: -245.755444
where:
bonds (distance) C4'-P energy: -54.856
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -49.231
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -599.036545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.036545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.036545 (E_RNA)
where:
Base-Base interactions energy: -370.484
where: short stacking energy: -176.115
Base-Backbone interact. energy: -0.318
local terms energy: -228.234375
where:
bonds (distance) C4'-P energy: -55.349
bonds (distance) P-C4' energy: -43.356
flat angles C4'-P-C4' energy: -48.688
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -40.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -555.697265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.697265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.697265 (E_RNA)
where:
Base-Base interactions energy: -344.450
where: short stacking energy: -151.710
Base-Backbone interact. energy: -2.653
local terms energy: -208.594064
where:
bonds (distance) C4'-P energy: -48.480
bonds (distance) P-C4' energy: -48.776
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -34.975
tors. eta vs tors. theta energy: -24.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -525.402649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.402649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.402649 (E_RNA)
where:
Base-Base interactions energy: -323.372
where: short stacking energy: -155.739
Base-Backbone interact. energy: 1.470
local terms energy: -203.500660
where:
bonds (distance) C4'-P energy: -59.330
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -48.615
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -399.041209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.041209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.041209 (E_RNA)
where:
Base-Base interactions energy: -225.921
where: short stacking energy: -124.702
Base-Backbone interact. energy: 4.749
local terms energy: -177.869781
where:
bonds (distance) C4'-P energy: -43.551
bonds (distance) P-C4' energy: -49.860
flat angles C4'-P-C4' energy: -42.399
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -262.018422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.018422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.018422 (E_RNA)
where:
Base-Base interactions energy: -97.589
where: short stacking energy: -75.370
Base-Backbone interact. energy: -1.931
local terms energy: -162.498636
where:
bonds (distance) C4'-P energy: -42.201
bonds (distance) P-C4' energy: -60.183
flat angles C4'-P-C4' energy: -36.029
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: 7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -883.707594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.707594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.707594 (E_RNA)
where:
Base-Base interactions energy: -607.369
where: short stacking energy: -244.845
Base-Backbone interact. energy: -1.596
local terms energy: -274.742878
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -69.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -879.194438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.194438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.194438 (E_RNA)
where:
Base-Base interactions energy: -588.359
where: short stacking energy: -270.677
Base-Backbone interact. energy: -0.653
local terms energy: -290.182319
where:
bonds (distance) C4'-P energy: -59.818
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -60.025
flat angles P-C4'-P energy: -41.619
tors. eta vs tors. theta energy: -74.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -822.710010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.710010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.710010 (E_RNA)
where:
Base-Base interactions energy: -540.264
where: short stacking energy: -229.711
Base-Backbone interact. energy: -1.303
local terms energy: -281.142646
where:
bonds (distance) C4'-P energy: -59.072
bonds (distance) P-C4' energy: -59.673
flat angles C4'-P-C4' energy: -55.809
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -65.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -815.023090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.023090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.023090 (E_RNA)
where:
Base-Base interactions energy: -548.967
where: short stacking energy: -242.888
Base-Backbone interact. energy: 0.888
local terms energy: -266.944605
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -49.045
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -40.282
tors. eta vs tors. theta energy: -66.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -713.595485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.595485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.595485 (E_RNA)
where:
Base-Base interactions energy: -478.710
where: short stacking energy: -208.016
Base-Backbone interact. energy: -1.125
local terms energy: -233.761023
where:
bonds (distance) C4'-P energy: -40.179
bonds (distance) P-C4' energy: -55.201
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -50.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -612.371366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.371366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.371366 (E_RNA)
where:
Base-Base interactions energy: -376.863
where: short stacking energy: -180.791
Base-Backbone interact. energy: -0.675
local terms energy: -234.832992
where:
bonds (distance) C4'-P energy: -50.580
bonds (distance) P-C4' energy: -41.453
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -47.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -546.816303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.816303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.816303 (E_RNA)
where:
Base-Base interactions energy: -326.998
where: short stacking energy: -148.748
Base-Backbone interact. energy: -1.551
local terms energy: -218.266973
where:
bonds (distance) C4'-P energy: -48.943
bonds (distance) P-C4' energy: -57.560
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -542.778315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.778315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.778315 (E_RNA)
where:
Base-Base interactions energy: -349.024
where: short stacking energy: -181.112
Base-Backbone interact. energy: -1.020
local terms energy: -192.734929
where:
bonds (distance) C4'-P energy: -32.315
bonds (distance) P-C4' energy: -52.086
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -416.313964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.313964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.313964 (E_RNA)
where:
Base-Base interactions energy: -242.493
where: short stacking energy: -137.099
Base-Backbone interact. energy: -0.754
local terms energy: -173.066506
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -223.974395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.974395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.974395 (E_RNA)
where:
Base-Base interactions energy: -75.136
where: short stacking energy: -69.546
Base-Backbone interact. energy: 6.233
local terms energy: -155.071239
where:
bonds (distance) C4'-P energy: -53.463
bonds (distance) P-C4' energy: -48.888
flat angles C4'-P-C4' energy: -43.261
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: 3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -894.103688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.103688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.103688 (E_RNA)
where:
Base-Base interactions energy: -616.406
where: short stacking energy: -272.401
Base-Backbone interact. energy: -1.904
local terms energy: -275.793933
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -60.624
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -74.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -890.295229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.295229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.295229 (E_RNA)
where:
Base-Base interactions energy: -613.887
where: short stacking energy: -260.471
Base-Backbone interact. energy: -3.245
local terms energy: -273.163662
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -76.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -842.522227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.522227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.522227 (E_RNA)
where:
Base-Base interactions energy: -556.870
where: short stacking energy: -227.431
Base-Backbone interact. energy: -0.706
local terms energy: -284.946270
where:
bonds (distance) C4'-P energy: -61.726
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -59.998
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -65.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -748.874542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.874542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.874542 (E_RNA)
where:
Base-Base interactions energy: -485.380
where: short stacking energy: -233.134
Base-Backbone interact. energy: -2.101
local terms energy: -261.394110
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -59.786
flat angles P-C4'-P energy: -40.100
tors. eta vs tors. theta energy: -67.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -697.841656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.841656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.841656 (E_RNA)
where:
Base-Base interactions energy: -467.054
where: short stacking energy: -213.364
Base-Backbone interact. energy: -0.212
local terms energy: -230.575916
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -51.904
flat angles C4'-P-C4' energy: -47.540
flat angles P-C4'-P energy: -29.856
tors. eta vs tors. theta energy: -55.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -616.693703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.693703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.693703 (E_RNA)
where:
Base-Base interactions energy: -388.083
where: short stacking energy: -178.602
Base-Backbone interact. energy: -1.187
local terms energy: -227.424573
where:
bonds (distance) C4'-P energy: -45.673
bonds (distance) P-C4' energy: -55.614
flat angles C4'-P-C4' energy: -53.028
flat angles P-C4'-P energy: -22.037
tors. eta vs tors. theta energy: -51.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -547.094352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.094352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.094352 (E_RNA)
where:
Base-Base interactions energy: -342.396
where: short stacking energy: -153.279
Base-Backbone interact. energy: 0.127
local terms energy: -204.825543
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -49.822
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -27.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -559.958499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.958499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.958499 (E_RNA)
where:
Base-Base interactions energy: -354.624
where: short stacking energy: -153.957
Base-Backbone interact. energy: 2.561
local terms energy: -207.895143
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -58.055
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -27.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -437.385619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.385619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.385619 (E_RNA)
where:
Base-Base interactions energy: -257.343
where: short stacking energy: -128.276
Base-Backbone interact. energy: 1.334
local terms energy: -181.376035
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -307.739242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.739242 (E_RNA)
where:
Base-Base interactions energy: -164.028
where: short stacking energy: -101.277
Base-Backbone interact. energy: 2.908
local terms energy: -146.619293
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -41.692
flat angles C4'-P-C4' energy: -36.622
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -887.562639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.562639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.562639 (E_RNA)
where:
Base-Base interactions energy: -593.522
where: short stacking energy: -275.536
Base-Backbone interact. energy: -2.229
local terms energy: -291.812126
where:
bonds (distance) C4'-P energy: -57.300
bonds (distance) P-C4' energy: -58.909
flat angles C4'-P-C4' energy: -62.561
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -69.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -886.916794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.916794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.916794 (E_RNA)
where:
Base-Base interactions energy: -591.677
where: short stacking energy: -283.185
Base-Backbone interact. energy: -0.683
local terms energy: -294.557456
where:
bonds (distance) C4'-P energy: -58.732
bonds (distance) P-C4' energy: -51.205
flat angles C4'-P-C4' energy: -55.387
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -86.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -815.131254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.131254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.131254 (E_RNA)
where:
Base-Base interactions energy: -529.411
where: short stacking energy: -239.811
Base-Backbone interact. energy: 0.192
local terms energy: -285.912835
where:
bonds (distance) C4'-P energy: -55.094
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -64.377
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -70.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -782.161118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.161118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.161118 (E_RNA)
where:
Base-Base interactions energy: -503.950
where: short stacking energy: -240.984
Base-Backbone interact. energy: -0.220
local terms energy: -277.990918
where:
bonds (distance) C4'-P energy: -52.814
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -68.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -701.930941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.930941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.930941 (E_RNA)
where:
Base-Base interactions energy: -461.086
where: short stacking energy: -211.595
Base-Backbone interact. energy: -1.560
local terms energy: -239.285312
where:
bonds (distance) C4'-P energy: -48.106
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -57.613
flat angles P-C4'-P energy: -41.402
tors. eta vs tors. theta energy: -45.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -584.514622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.514622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.514622 (E_RNA)
where:
Base-Base interactions energy: -366.328
where: short stacking energy: -190.676
Base-Backbone interact. energy: 5.005
local terms energy: -223.192131
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -50.501
flat angles C4'-P-C4' energy: -45.382
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -51.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -595.692441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.692441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.692441 (E_RNA)
where:
Base-Base interactions energy: -395.664
where: short stacking energy: -179.630
Base-Backbone interact. energy: -2.278
local terms energy: -197.750489
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -36.148
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -35.116
tors. eta vs tors. theta energy: -35.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -559.197711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.197711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.197711 (E_RNA)
where:
Base-Base interactions energy: -362.843
where: short stacking energy: -175.678
Base-Backbone interact. energy: -0.933
local terms energy: -195.421725
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -30.708
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -439.795785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.795785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.795785 (E_RNA)
where:
Base-Base interactions energy: -251.032
where: short stacking energy: -129.132
Base-Backbone interact. energy: -0.815
local terms energy: -187.949459
where:
bonds (distance) C4'-P energy: -56.898
bonds (distance) P-C4' energy: -45.951
flat angles C4'-P-C4' energy: -50.819
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -258.710209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.710209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.710209 (E_RNA)
where:
Base-Base interactions energy: -111.094
where: short stacking energy: -65.977
Base-Backbone interact. energy: 1.707
local terms energy: -149.323290
where:
bonds (distance) C4'-P energy: -42.652
bonds (distance) P-C4' energy: -48.163
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: 7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -888.842595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.842595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.842595 (E_RNA)
where:
Base-Base interactions energy: -599.661
where: short stacking energy: -271.762
Base-Backbone interact. energy: 0.789
local terms energy: -289.970567
where:
bonds (distance) C4'-P energy: -56.412
bonds (distance) P-C4' energy: -60.450
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -75.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -865.796547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.796547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.796547 (E_RNA)
where:
Base-Base interactions energy: -565.801
where: short stacking energy: -259.217
Base-Backbone interact. energy: -0.838
local terms energy: -299.157728
where:
bonds (distance) C4'-P energy: -61.028
bonds (distance) P-C4' energy: -67.537
flat angles C4'-P-C4' energy: -62.894
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -67.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -849.684791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.684791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.684791 (E_RNA)
where:
Base-Base interactions energy: -570.412
where: short stacking energy: -249.866
Base-Backbone interact. energy: -1.888
local terms energy: -277.384802
where:
bonds (distance) C4'-P energy: -51.632
bonds (distance) P-C4' energy: -58.514
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -41.374
tors. eta vs tors. theta energy: -67.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -808.516272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.516272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.516272 (E_RNA)
where:
Base-Base interactions energy: -539.050
where: short stacking energy: -242.947
Base-Backbone interact. energy: -1.029
local terms energy: -268.436792
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -61.182
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -66.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -658.525174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.525174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.525174 (E_RNA)
where:
Base-Base interactions energy: -415.302
where: short stacking energy: -170.102
Base-Backbone interact. energy: -1.337
local terms energy: -241.886381
where:
bonds (distance) C4'-P energy: -52.042
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -53.310
flat angles P-C4'-P energy: -36.621
tors. eta vs tors. theta energy: -42.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -590.969547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.969547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.969547 (E_RNA)
where:
Base-Base interactions energy: -361.006
where: short stacking energy: -162.465
Base-Backbone interact. energy: 2.327
local terms energy: -232.290741
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -35.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -637.024862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.024862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.024862 (E_RNA)
where:
Base-Base interactions energy: -416.662
where: short stacking energy: -193.436
Base-Backbone interact. energy: -0.662
local terms energy: -219.700410
where:
bonds (distance) C4'-P energy: -46.960
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -46.516
flat angles P-C4'-P energy: -27.097
tors. eta vs tors. theta energy: -50.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -540.086363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.086363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.086363 (E_RNA)
where:
Base-Base interactions energy: -341.084
where: short stacking energy: -170.946
Base-Backbone interact. energy: 0.893
local terms energy: -199.895880
where:
bonds (distance) C4'-P energy: -44.081
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -58.099
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -30.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -456.690695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.690695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.690695 (E_RNA)
where:
Base-Base interactions energy: -269.225
where: short stacking energy: -147.253
Base-Backbone interact. energy: -0.755
local terms energy: -186.710534
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -41.503
flat angles P-C4'-P energy: -17.203
tors. eta vs tors. theta energy: -31.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -242.936689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.936689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.936689 (E_RNA)
where:
Base-Base interactions energy: -100.610
where: short stacking energy: -82.994
Base-Backbone interact. energy: -1.514
local terms energy: -140.813094
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -46.133
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -880.738456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.738456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.738456 (E_RNA)
where:
Base-Base interactions energy: -586.436
where: short stacking energy: -255.338
Base-Backbone interact. energy: -0.068
local terms energy: -294.235039
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -54.831
flat angles C4'-P-C4' energy: -63.745
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -74.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -871.711537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.711537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.711537 (E_RNA)
where:
Base-Base interactions energy: -585.098
where: short stacking energy: -262.400
Base-Backbone interact. energy: -1.576
local terms energy: -285.037047
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -64.743
flat angles P-C4'-P energy: -41.760
tors. eta vs tors. theta energy: -70.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -833.293344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.293344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.293344 (E_RNA)
where:
Base-Base interactions energy: -571.479
where: short stacking energy: -226.679
Base-Backbone interact. energy: -3.545
local terms energy: -258.269173
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -52.492
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -58.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -779.887640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.887640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.887640 (E_RNA)
where:
Base-Base interactions energy: -509.897
where: short stacking energy: -233.825
Base-Backbone interact. energy: 3.753
local terms energy: -273.743440
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -48.839
flat angles P-C4'-P energy: -46.783
tors. eta vs tors. theta energy: -62.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -717.877665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.877665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.877665 (E_RNA)
where:
Base-Base interactions energy: -486.184
where: short stacking energy: -212.978
Base-Backbone interact. energy: 0.184
local terms energy: -231.878181
where:
bonds (distance) C4'-P energy: -44.905
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -47.322
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -57.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -674.451010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.451010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.451010 (E_RNA)
where:
Base-Base interactions energy: -448.263
where: short stacking energy: -220.398
Base-Backbone interact. energy: -0.153
local terms energy: -226.034496
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -52.830
flat angles P-C4'-P energy: -22.042
tors. eta vs tors. theta energy: -54.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -580.212111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.212111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.212111 (E_RNA)
where:
Base-Base interactions energy: -382.361
where: short stacking energy: -170.843
Base-Backbone interact. energy: -0.170
local terms energy: -197.680998
where:
bonds (distance) C4'-P energy: -39.869
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -47.449
flat angles P-C4'-P energy: -33.698
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -534.314385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.314385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.314385 (E_RNA)
where:
Base-Base interactions energy: -328.801
where: short stacking energy: -144.701
Base-Backbone interact. energy: -2.043
local terms energy: -203.470162
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -62.711
flat angles C4'-P-C4' energy: -43.162
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -429.122059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.122059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.122059 (E_RNA)
where:
Base-Base interactions energy: -238.689
where: short stacking energy: -113.156
Base-Backbone interact. energy: -0.439
local terms energy: -189.994141
where:
bonds (distance) C4'-P energy: -52.880
bonds (distance) P-C4' energy: -43.154
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -263.741200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.741200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.741200 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -110.344
Base-Backbone interact. energy: 4.044
local terms energy: -153.823995
where:
bonds (distance) C4'-P energy: -45.105
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -43.670
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -866.606672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.606672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.606672 (E_RNA)
where:
Base-Base interactions energy: -566.612
where: short stacking energy: -255.844
Base-Backbone interact. energy: -0.945
local terms energy: -299.049145
where:
bonds (distance) C4'-P energy: -51.577
bonds (distance) P-C4' energy: -66.636
flat angles C4'-P-C4' energy: -65.403
flat angles P-C4'-P energy: -42.910
tors. eta vs tors. theta energy: -72.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -868.654279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.654279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.654279 (E_RNA)
where:
Base-Base interactions energy: -584.115
where: short stacking energy: -274.475
Base-Backbone interact. energy: -0.288
local terms energy: -284.251609
where:
bonds (distance) C4'-P energy: -51.881
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -65.363
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -821.932832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.932832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.932832 (E_RNA)
where:
Base-Base interactions energy: -541.777
where: short stacking energy: -248.598
Base-Backbone interact. energy: -1.959
local terms energy: -278.196407
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -68.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -793.595104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.595104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.595104 (E_RNA)
where:
Base-Base interactions energy: -518.568
where: short stacking energy: -235.076
Base-Backbone interact. energy: -1.407
local terms energy: -273.619806
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -59.287
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -71.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -725.886005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.886005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.886005 (E_RNA)
where:
Base-Base interactions energy: -486.229
where: short stacking energy: -218.288
Base-Backbone interact. energy: 0.717
local terms energy: -240.374425
where:
bonds (distance) C4'-P energy: -42.568
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -68.236
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -54.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -679.345820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.345820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.345820 (E_RNA)
where:
Base-Base interactions energy: -451.930
where: short stacking energy: -214.200
Base-Backbone interact. energy: -1.052
local terms energy: -226.363849
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -47.818
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -54.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -558.980771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.980771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.980771 (E_RNA)
where:
Base-Base interactions energy: -340.451
where: short stacking energy: -184.984
Base-Backbone interact. energy: 0.358
local terms energy: -218.887383
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -59.208
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -36.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -499.007178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.007178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.007178 (E_RNA)
where:
Base-Base interactions energy: -319.320
where: short stacking energy: -144.922
Base-Backbone interact. energy: -2.111
local terms energy: -177.576009
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -42.976
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -24.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -474.035256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.035256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.035256 (E_RNA)
where:
Base-Base interactions energy: -284.174
where: short stacking energy: -157.156
Base-Backbone interact. energy: -1.091
local terms energy: -188.770411
where:
bonds (distance) C4'-P energy: -33.115
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -48.536
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -30.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -239.893124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.893124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.893124 (E_RNA)
where:
Base-Base interactions energy: -79.859
where: short stacking energy: -69.153
Base-Backbone interact. energy: 4.421
local terms energy: -164.455610
where:
bonds (distance) C4'-P energy: -57.131
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -28.458
tors. eta vs tors. theta energy: 9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -868.915153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.915153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.915153 (E_RNA)
where:
Base-Base interactions energy: -571.586
where: short stacking energy: -269.788
Base-Backbone interact. energy: -4.339
local terms energy: -292.990351
where:
bonds (distance) C4'-P energy: -57.558
bonds (distance) P-C4' energy: -56.361
flat angles C4'-P-C4' energy: -62.938
flat angles P-C4'-P energy: -40.807
tors. eta vs tors. theta energy: -75.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -871.079776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.079776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.079776 (E_RNA)
where:
Base-Base interactions energy: -568.824
where: short stacking energy: -254.547
Base-Backbone interact. energy: -0.036
local terms energy: -302.220469
where:
bonds (distance) C4'-P energy: -60.967
bonds (distance) P-C4' energy: -56.068
flat angles C4'-P-C4' energy: -64.930
flat angles P-C4'-P energy: -45.035
tors. eta vs tors. theta energy: -75.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -800.860206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.860206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.860206 (E_RNA)
where:
Base-Base interactions energy: -556.257
where: short stacking energy: -238.371
Base-Backbone interact. energy: 0.218
local terms energy: -244.820903
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -52.520
flat angles C4'-P-C4' energy: -59.396
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -55.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -810.328710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.328710 (E_RNA)
where:
Base-Base interactions energy: -535.767
where: short stacking energy: -242.088
Base-Backbone interact. energy: -2.629
local terms energy: -271.932569
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -47.567
flat angles C4'-P-C4' energy: -55.579
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -69.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -722.518317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.518317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.518317 (E_RNA)
where:
Base-Base interactions energy: -501.979
where: short stacking energy: -205.962
Base-Backbone interact. energy: -2.484
local terms energy: -218.055797
where:
bonds (distance) C4'-P energy: -37.779
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -42.143
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -55.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -645.930800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.930800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.930800 (E_RNA)
where:
Base-Base interactions energy: -435.942
where: short stacking energy: -196.575
Base-Backbone interact. energy: -1.423
local terms energy: -208.565999
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -38.547
flat angles C4'-P-C4' energy: -51.376
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -45.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -557.988002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.988002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.988002 (E_RNA)
where:
Base-Base interactions energy: -351.639
where: short stacking energy: -168.119
Base-Backbone interact. energy: -2.040
local terms energy: -204.308982
where:
bonds (distance) C4'-P energy: -42.127
bonds (distance) P-C4' energy: -46.043
flat angles C4'-P-C4' energy: -56.098
flat angles P-C4'-P energy: -25.516
tors. eta vs tors. theta energy: -34.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -496.420191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.420191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.420191 (E_RNA)
where:
Base-Base interactions energy: -286.078
where: short stacking energy: -142.549
Base-Backbone interact. energy: 0.327
local terms energy: -210.669587
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -48.282
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -485.722497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.722497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.722497 (E_RNA)
where:
Base-Base interactions energy: -281.592
where: short stacking energy: -139.978
Base-Backbone interact. energy: 0.999
local terms energy: -205.129011
where:
bonds (distance) C4'-P energy: -55.090
bonds (distance) P-C4' energy: -60.842
flat angles C4'-P-C4' energy: -43.289
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -31.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -250.447486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.447486 (E_RNA)
where:
Base-Base interactions energy: -92.377
where: short stacking energy: -79.056
Base-Backbone interact. energy: -0.147
local terms energy: -157.923364
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -36.886
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -891.841961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.841961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.841961 (E_RNA)
where:
Base-Base interactions energy: -596.015
where: short stacking energy: -261.101
Base-Backbone interact. energy: -1.689
local terms energy: -294.138193
where:
bonds (distance) C4'-P energy: -53.100
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -60.503
flat angles P-C4'-P energy: -46.981
tors. eta vs tors. theta energy: -77.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -837.815564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.815564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.815564 (E_RNA)
where:
Base-Base interactions energy: -544.689
where: short stacking energy: -251.915
Base-Backbone interact. energy: -0.154
local terms energy: -292.972346
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -55.188
flat angles C4'-P-C4' energy: -65.257
flat angles P-C4'-P energy: -41.505
tors. eta vs tors. theta energy: -72.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -845.116984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.116984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.116984 (E_RNA)
where:
Base-Base interactions energy: -549.861
where: short stacking energy: -262.562
Base-Backbone interact. energy: -1.326
local terms energy: -293.929800
where:
bonds (distance) C4'-P energy: -57.132
bonds (distance) P-C4' energy: -51.832
flat angles C4'-P-C4' energy: -58.652
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -80.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -757.768726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.768726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.768726 (E_RNA)
where:
Base-Base interactions energy: -502.306
where: short stacking energy: -223.982
Base-Backbone interact. energy: -0.676
local terms energy: -254.786402
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -52.536
flat angles C4'-P-C4' energy: -63.668
flat angles P-C4'-P energy: -30.084
tors. eta vs tors. theta energy: -53.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -693.179244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.179244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.179244 (E_RNA)
where:
Base-Base interactions energy: -467.685
where: short stacking energy: -223.338
Base-Backbone interact. energy: -1.015
local terms energy: -224.479331
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -48.928
flat angles C4'-P-C4' energy: -50.162
flat angles P-C4'-P energy: -33.600
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -682.094316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.094316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.094316 (E_RNA)
where:
Base-Base interactions energy: -441.439
where: short stacking energy: -198.509
Base-Backbone interact. energy: 0.895
local terms energy: -241.550593
where:
bonds (distance) C4'-P energy: -57.246
bonds (distance) P-C4' energy: -48.198
flat angles C4'-P-C4' energy: -51.826
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -50.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -565.197782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.197782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.197782 (E_RNA)
where:
Base-Base interactions energy: -359.749
where: short stacking energy: -182.006
Base-Backbone interact. energy: -0.797
local terms energy: -204.651760
where:
bonds (distance) C4'-P energy: -44.215
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -31.834
tors. eta vs tors. theta energy: -30.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -470.939893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.939893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.939893 (E_RNA)
where:
Base-Base interactions energy: -274.165
where: short stacking energy: -140.102
Base-Backbone interact. energy: -0.080
local terms energy: -196.695536
where:
bonds (distance) C4'-P energy: -45.333
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -48.653
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -25.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -476.365348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.365348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.365348 (E_RNA)
where:
Base-Base interactions energy: -275.730
where: short stacking energy: -136.687
Base-Backbone interact. energy: -0.962
local terms energy: -199.673648
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -49.107
flat angles C4'-P-C4' energy: -53.993
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -253.962240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.962240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.962240 (E_RNA)
where:
Base-Base interactions energy: -110.403
where: short stacking energy: -82.118
Base-Backbone interact. energy: 1.475
local terms energy: -145.034121
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -41.451
flat angles C4'-P-C4' energy: -40.325
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -909.657991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.657991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.657991 (E_RNA)
where:
Base-Base interactions energy: -611.156
where: short stacking energy: -277.762
Base-Backbone interact. energy: -1.201
local terms energy: -297.300673
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -63.954
flat angles C4'-P-C4' energy: -65.327
flat angles P-C4'-P energy: -38.393
tors. eta vs tors. theta energy: -77.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -866.650055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.650055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.650055 (E_RNA)
where:
Base-Base interactions energy: -581.527
where: short stacking energy: -262.659
Base-Backbone interact. energy: -0.447
local terms energy: -284.675641
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -61.589
flat angles C4'-P-C4' energy: -53.751
flat angles P-C4'-P energy: -44.057
tors. eta vs tors. theta energy: -73.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -838.411460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.411460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.411460 (E_RNA)
where:
Base-Base interactions energy: -544.017
where: short stacking energy: -238.125
Base-Backbone interact. energy: -0.208
local terms energy: -294.186137
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -67.675
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: -70.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -763.800554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.800554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.800554 (E_RNA)
where:
Base-Base interactions energy: -506.180
where: short stacking energy: -234.833
Base-Backbone interact. energy: -2.418
local terms energy: -255.202396
where:
bonds (distance) C4'-P energy: -59.670
bonds (distance) P-C4' energy: -45.633
flat angles C4'-P-C4' energy: -64.244
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -47.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -706.176459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.176459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.176459 (E_RNA)
where:
Base-Base interactions energy: -464.188
where: short stacking energy: -212.688
Base-Backbone interact. energy: -2.449
local terms energy: -239.539676
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -53.612
flat angles P-C4'-P energy: -35.124
tors. eta vs tors. theta energy: -49.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -717.411860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.411860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.411860 (E_RNA)
where:
Base-Base interactions energy: -485.048
where: short stacking energy: -211.757
Base-Backbone interact. energy: -2.642
local terms energy: -229.722316
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -46.195
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -55.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -563.524591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.524591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.524591 (E_RNA)
where:
Base-Base interactions energy: -362.185
where: short stacking energy: -180.541
Base-Backbone interact. energy: 0.868
local terms energy: -202.207481
where:
bonds (distance) C4'-P energy: -47.743
bonds (distance) P-C4' energy: -41.925
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -37.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -473.667516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.667516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.667516 (E_RNA)
where:
Base-Base interactions energy: -267.519
where: short stacking energy: -131.163
Base-Backbone interact. energy: -0.720
local terms energy: -205.428579
where:
bonds (distance) C4'-P energy: -51.120
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -26.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -452.211269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.211269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.211269 (E_RNA)
where:
Base-Base interactions energy: -249.351
where: short stacking energy: -140.618
Base-Backbone interact. energy: -2.104
local terms energy: -200.756023
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -54.032
flat angles C4'-P-C4' energy: -48.220
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -254.803560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.803560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.803560 (E_RNA)
where:
Base-Base interactions energy: -85.262
where: short stacking energy: -72.113
Base-Backbone interact. energy: -0.270
local terms energy: -169.271733
where:
bonds (distance) C4'-P energy: -45.250
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -47.114
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -907.068500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.068500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.068500 (E_RNA)
where:
Base-Base interactions energy: -600.655
where: short stacking energy: -283.995
Base-Backbone interact. energy: -1.087
local terms energy: -305.326591
where:
bonds (distance) C4'-P energy: -63.477
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -55.858
flat angles P-C4'-P energy: -47.357
tors. eta vs tors. theta energy: -82.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -862.153953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.153953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.153953 (E_RNA)
where:
Base-Base interactions energy: -564.386
where: short stacking energy: -259.380
Base-Backbone interact. energy: -1.616
local terms energy: -296.152224
where:
bonds (distance) C4'-P energy: -61.197
bonds (distance) P-C4' energy: -54.538
flat angles C4'-P-C4' energy: -62.928
flat angles P-C4'-P energy: -42.565
tors. eta vs tors. theta energy: -74.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -861.905070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.905070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.905070 (E_RNA)
where:
Base-Base interactions energy: -573.214
where: short stacking energy: -247.239
Base-Backbone interact. energy: -0.275
local terms energy: -288.416987
where:
bonds (distance) C4'-P energy: -59.085
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -57.378
flat angles P-C4'-P energy: -39.458
tors. eta vs tors. theta energy: -80.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -772.292798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.292798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.292798 (E_RNA)
where:
Base-Base interactions energy: -536.201
where: short stacking energy: -223.399
Base-Backbone interact. energy: -1.375
local terms energy: -234.717373
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -50.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -771.930385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.930385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.930385 (E_RNA)
where:
Base-Base interactions energy: -537.492
where: short stacking energy: -238.658
Base-Backbone interact. energy: 2.691
local terms energy: -237.129983
where:
bonds (distance) C4'-P energy: -46.408
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -57.374
flat angles P-C4'-P energy: -32.348
tors. eta vs tors. theta energy: -58.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -691.532329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.532329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.532329 (E_RNA)
where:
Base-Base interactions energy: -441.444
where: short stacking energy: -202.676
Base-Backbone interact. energy: 0.336
local terms energy: -250.424781
where:
bonds (distance) C4'-P energy: -59.774
bonds (distance) P-C4' energy: -53.384
flat angles C4'-P-C4' energy: -48.762
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -52.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -553.615255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.615255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.615255 (E_RNA)
where:
Base-Base interactions energy: -349.994
where: short stacking energy: -161.492
Base-Backbone interact. energy: -1.224
local terms energy: -202.397681
where:
bonds (distance) C4'-P energy: -46.441
bonds (distance) P-C4' energy: -43.201
flat angles C4'-P-C4' energy: -55.332
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -40.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -479.814450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.814450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.814450 (E_RNA)
where:
Base-Base interactions energy: -290.122
where: short stacking energy: -146.774
Base-Backbone interact. energy: 1.566
local terms energy: -191.258526
where:
bonds (distance) C4'-P energy: -47.953
bonds (distance) P-C4' energy: -46.743
flat angles C4'-P-C4' energy: -44.813
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -34.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -485.554985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.554985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.554985 (E_RNA)
where:
Base-Base interactions energy: -303.905
where: short stacking energy: -139.129
Base-Backbone interact. energy: -0.562
local terms energy: -181.087126
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -44.527
flat angles C4'-P-C4' energy: -40.043
flat angles P-C4'-P energy: -32.047
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -247.681269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.681269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.681269 (E_RNA)
where:
Base-Base interactions energy: -93.826
where: short stacking energy: -91.545
Base-Backbone interact. energy: -0.424
local terms energy: -153.430771
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -38.624
flat angles C4'-P-C4' energy: -53.240
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -908.119311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.119311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.119311 (E_RNA)
where:
Base-Base interactions energy: -606.276
where: short stacking energy: -259.668
Base-Backbone interact. energy: 0.372
local terms energy: -302.215041
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -61.593
flat angles C4'-P-C4' energy: -68.182
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -79.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -884.366260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.366260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.366260 (E_RNA)
where:
Base-Base interactions energy: -596.848
where: short stacking energy: -269.600
Base-Backbone interact. energy: -0.840
local terms energy: -286.678060
where:
bonds (distance) C4'-P energy: -55.214
bonds (distance) P-C4' energy: -47.193
flat angles C4'-P-C4' energy: -66.738
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -76.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -831.980974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.980974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.980974 (E_RNA)
where:
Base-Base interactions energy: -544.974
where: short stacking energy: -242.015
Base-Backbone interact. energy: -0.511
local terms energy: -286.496596
where:
bonds (distance) C4'-P energy: -57.028
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -65.490
flat angles P-C4'-P energy: -40.940
tors. eta vs tors. theta energy: -63.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -763.721065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.721065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.721065 (E_RNA)
where:
Base-Base interactions energy: -501.883
where: short stacking energy: -248.436
Base-Backbone interact. energy: -0.641
local terms energy: -261.197046
where:
bonds (distance) C4'-P energy: -46.546
bonds (distance) P-C4' energy: -54.101
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -731.400647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.400647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.400647 (E_RNA)
where:
Base-Base interactions energy: -506.989
where: short stacking energy: -209.552
Base-Backbone interact. energy: -2.085
local terms energy: -222.326144
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -50.556
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -700.719255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.719255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.719255 (E_RNA)
where:
Base-Base interactions energy: -463.803
where: short stacking energy: -203.337
Base-Backbone interact. energy: -0.895
local terms energy: -236.021464
where:
bonds (distance) C4'-P energy: -48.058
bonds (distance) P-C4' energy: -54.941
flat angles C4'-P-C4' energy: -55.305
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -40.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -546.376048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.376048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.376048 (E_RNA)
where:
Base-Base interactions energy: -340.961
where: short stacking energy: -146.787
Base-Backbone interact. energy: -2.342
local terms energy: -203.072891
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -59.793
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -536.382359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.382359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.382359 (E_RNA)
where:
Base-Base interactions energy: -334.585
where: short stacking energy: -158.316
Base-Backbone interact. energy: 1.170
local terms energy: -202.966887
where:
bonds (distance) C4'-P energy: -46.786
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -49.181
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -465.758959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.758959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.758959 (E_RNA)
where:
Base-Base interactions energy: -283.701
where: short stacking energy: -149.723
Base-Backbone interact. energy: 0.696
local terms energy: -182.754667
where:
bonds (distance) C4'-P energy: -42.884
bonds (distance) P-C4' energy: -42.623
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -20.642
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -254.788261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.788261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.788261 (E_RNA)
where:
Base-Base interactions energy: -88.117
where: short stacking energy: -81.126
Base-Backbone interact. energy: -0.607
local terms energy: -166.064187
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -34.436
tors. eta vs tors. theta energy: 3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -894.439012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.439012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.439012 (E_RNA)
where:
Base-Base interactions energy: -602.132
where: short stacking energy: -277.047
Base-Backbone interact. energy: 0.889
local terms energy: -293.196239
where:
bonds (distance) C4'-P energy: -57.519
bonds (distance) P-C4' energy: -54.020
flat angles C4'-P-C4' energy: -60.198
flat angles P-C4'-P energy: -40.613
tors. eta vs tors. theta energy: -80.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -892.575468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.575468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.575468 (E_RNA)
where:
Base-Base interactions energy: -605.972
where: short stacking energy: -264.725
Base-Backbone interact. energy: -0.193
local terms energy: -286.410563
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -54.144
flat angles C4'-P-C4' energy: -60.578
flat angles P-C4'-P energy: -41.633
tors. eta vs tors. theta energy: -77.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -831.871416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.871416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.871416 (E_RNA)
where:
Base-Base interactions energy: -546.958
where: short stacking energy: -236.699
Base-Backbone interact. energy: 0.736
local terms energy: -285.648722
where:
bonds (distance) C4'-P energy: -52.211
bonds (distance) P-C4' energy: -53.397
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -40.462
tors. eta vs tors. theta energy: -75.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -810.564232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.564232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.564232 (E_RNA)
where:
Base-Base interactions energy: -542.280
where: short stacking energy: -233.233
Base-Backbone interact. energy: -1.514
local terms energy: -266.770601
where:
bonds (distance) C4'-P energy: -52.283
bonds (distance) P-C4' energy: -61.076
flat angles C4'-P-C4' energy: -58.138
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -55.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -754.008216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.008216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.008216 (E_RNA)
where:
Base-Base interactions energy: -506.746
where: short stacking energy: -221.095
Base-Backbone interact. energy: -1.873
local terms energy: -245.388525
where:
bonds (distance) C4'-P energy: -49.470
bonds (distance) P-C4' energy: -43.698
flat angles C4'-P-C4' energy: -51.050
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -56.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -660.004731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.004731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.004731 (E_RNA)
where:
Base-Base interactions energy: -431.093
where: short stacking energy: -203.324
Base-Backbone interact. energy: -0.044
local terms energy: -228.868040
where:
bonds (distance) C4'-P energy: -41.700
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -50.032
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -49.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -612.372079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.372079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.372079 (E_RNA)
where:
Base-Base interactions energy: -386.085
where: short stacking energy: -169.200
Base-Backbone interact. energy: -0.267
local terms energy: -226.020084
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -56.702
flat angles C4'-P-C4' energy: -58.183
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -546.433676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.433676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.433676 (E_RNA)
where:
Base-Base interactions energy: -319.029
where: short stacking energy: -172.578
Base-Backbone interact. energy: 3.043
local terms energy: -230.448265
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -51.363
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -42.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -450.223215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.223215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.223215 (E_RNA)
where:
Base-Base interactions energy: -270.001
where: short stacking energy: -123.193
Base-Backbone interact. energy: -1.671
local terms energy: -178.550696
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -43.978
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -246.066081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.066081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.066081 (E_RNA)
where:
Base-Base interactions energy: -78.078
where: short stacking energy: -69.454
Base-Backbone interact. energy: -1.106
local terms energy: -166.882255
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -62.553
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -913.897901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.897901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.897901 (E_RNA)
where:
Base-Base interactions energy: -607.501
where: short stacking energy: -277.647
Base-Backbone interact. energy: -2.574
local terms energy: -303.823553
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -62.082
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -76.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -883.563248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.563248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.563248 (E_RNA)
where:
Base-Base interactions energy: -587.941
where: short stacking energy: -266.742
Base-Backbone interact. energy: -1.671
local terms energy: -293.951274
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -65.677
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -76.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -841.913270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.913270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.913270 (E_RNA)
where:
Base-Base interactions energy: -573.610
where: short stacking energy: -259.229
Base-Backbone interact. energy: -0.183
local terms energy: -268.119911
where:
bonds (distance) C4'-P energy: -56.197
bonds (distance) P-C4' energy: -48.262
flat angles C4'-P-C4' energy: -65.013
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -72.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -790.705288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.705288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.705288 (E_RNA)
where:
Base-Base interactions energy: -556.809
where: short stacking energy: -233.657
Base-Backbone interact. energy: -3.760
local terms energy: -230.136084
where:
bonds (distance) C4'-P energy: -40.965
bonds (distance) P-C4' energy: -45.240
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: -50.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -739.445885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.445885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.445885 (E_RNA)
where:
Base-Base interactions energy: -485.215
where: short stacking energy: -216.751
Base-Backbone interact. energy: -1.722
local terms energy: -252.508946
where:
bonds (distance) C4'-P energy: -59.738
bonds (distance) P-C4' energy: -53.987
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -47.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -647.304827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.304827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.304827 (E_RNA)
where:
Base-Base interactions energy: -413.323
where: short stacking energy: -188.894
Base-Backbone interact. energy: -2.068
local terms energy: -231.914559
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -37.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -618.978642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.978642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.978642 (E_RNA)
where:
Base-Base interactions energy: -383.645
where: short stacking energy: -190.337
Base-Backbone interact. energy: 1.188
local terms energy: -236.521671
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -48.931
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: -44.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -523.016786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.016786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.016786 (E_RNA)
where:
Base-Base interactions energy: -326.037
where: short stacking energy: -161.210
Base-Backbone interact. energy: -0.078
local terms energy: -196.901997
where:
bonds (distance) C4'-P energy: -51.622
bonds (distance) P-C4' energy: -39.506
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -32.073
tors. eta vs tors. theta energy: -26.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -460.738664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.738664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.738664 (E_RNA)
where:
Base-Base interactions energy: -271.688
where: short stacking energy: -138.450
Base-Backbone interact. energy: 0.147
local terms energy: -189.198095
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -36.399
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -33.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -254.231256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.231256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.231256 (E_RNA)
where:
Base-Base interactions energy: -98.357
where: short stacking energy: -87.039
Base-Backbone interact. energy: 1.079
local terms energy: -156.953568
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -44.583
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: 5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -931.974222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.974222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.974222 (E_RNA)
where:
Base-Base interactions energy: -616.481
where: short stacking energy: -285.982
Base-Backbone interact. energy: 0.422
local terms energy: -315.914418
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -55.567
flat angles C4'-P-C4' energy: -65.127
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -89.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -900.566761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.566761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.566761 (E_RNA)
where:
Base-Base interactions energy: -611.813
where: short stacking energy: -248.790
Base-Backbone interact. energy: -1.915
local terms energy: -286.838379
where:
bonds (distance) C4'-P energy: -55.634
bonds (distance) P-C4' energy: -60.685
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -72.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -828.592016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.592016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.592016 (E_RNA)
where:
Base-Base interactions energy: -544.211
where: short stacking energy: -248.721
Base-Backbone interact. energy: 0.133
local terms energy: -284.513777
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -54.073
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -80.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -816.686169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.686169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.686169 (E_RNA)
where:
Base-Base interactions energy: -558.585
where: short stacking energy: -212.056
Base-Backbone interact. energy: 0.866
local terms energy: -258.966934
where:
bonds (distance) C4'-P energy: -55.011
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -62.338
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -53.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -754.223676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.223676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.223676 (E_RNA)
where:
Base-Base interactions energy: -494.187
where: short stacking energy: -216.563
Base-Backbone interact. energy: -0.835
local terms energy: -259.201235
where:
bonds (distance) C4'-P energy: -49.340
bonds (distance) P-C4' energy: -50.027
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -56.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -651.006226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.006226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.006226 (E_RNA)
where:
Base-Base interactions energy: -426.809
where: short stacking energy: -195.408
Base-Backbone interact. energy: -1.839
local terms energy: -222.358155
where:
bonds (distance) C4'-P energy: -44.005
bonds (distance) P-C4' energy: -47.590
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -47.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -613.841328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.841328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.841328 (E_RNA)
where:
Base-Base interactions energy: -400.031
where: short stacking energy: -177.781
Base-Backbone interact. energy: -1.813
local terms energy: -211.997739
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -60.321
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -540.065999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.065999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.065999 (E_RNA)
where:
Base-Base interactions energy: -308.092
where: short stacking energy: -148.964
Base-Backbone interact. energy: 1.456
local terms energy: -233.430276
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -51.734
flat angles C4'-P-C4' energy: -52.875
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -28.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -456.097510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.097510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.097510 (E_RNA)
where:
Base-Base interactions energy: -264.660
where: short stacking energy: -125.778
Base-Backbone interact. energy: -1.425
local terms energy: -190.012052
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -238.852457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.852457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.852457 (E_RNA)
where:
Base-Base interactions energy: -76.881
where: short stacking energy: -65.212
Base-Backbone interact. energy: 0.054
local terms energy: -162.025660
where:
bonds (distance) C4'-P energy: -51.649
bonds (distance) P-C4' energy: -53.892
flat angles C4'-P-C4' energy: -42.783
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: 9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -949.679341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.679341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.679341 (E_RNA)
where:
Base-Base interactions energy: -627.667
where: short stacking energy: -280.145
Base-Backbone interact. energy: -0.224
local terms energy: -321.787674
where:
bonds (distance) C4'-P energy: -57.270
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -67.895
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -90.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -898.938087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.938087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.938087 (E_RNA)
where:
Base-Base interactions energy: -611.996
where: short stacking energy: -269.132
Base-Backbone interact. energy: -1.011
local terms energy: -285.931432
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -59.721
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -82.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -828.426267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.426267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.426267 (E_RNA)
where:
Base-Base interactions energy: -546.266
where: short stacking energy: -243.746
Base-Backbone interact. energy: -0.767
local terms energy: -281.393992
where:
bonds (distance) C4'-P energy: -55.510
bonds (distance) P-C4' energy: -56.306
flat angles C4'-P-C4' energy: -53.782
flat angles P-C4'-P energy: -42.237
tors. eta vs tors. theta energy: -73.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -810.521458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.521458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.521458 (E_RNA)
where:
Base-Base interactions energy: -569.741
where: short stacking energy: -222.467
Base-Backbone interact. energy: 1.030
local terms energy: -241.810750
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -57.445
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: -51.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -764.695626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.695626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.695626 (E_RNA)
where:
Base-Base interactions energy: -498.568
where: short stacking energy: -212.761
Base-Backbone interact. energy: 0.114
local terms energy: -266.241217
where:
bonds (distance) C4'-P energy: -48.718
bonds (distance) P-C4' energy: -57.803
flat angles C4'-P-C4' energy: -61.195
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: -56.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -628.168804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.168804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.168804 (E_RNA)
where:
Base-Base interactions energy: -393.622
where: short stacking energy: -179.851
Base-Backbone interact. energy: 0.609
local terms energy: -235.155850
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -34.965
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -605.874459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.874459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.874459 (E_RNA)
where:
Base-Base interactions energy: -400.011
where: short stacking energy: -195.837
Base-Backbone interact. energy: -1.341
local terms energy: -204.522419
where:
bonds (distance) C4'-P energy: -36.098
bonds (distance) P-C4' energy: -45.294
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: -34.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -510.820802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.820802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.820802 (E_RNA)
where:
Base-Base interactions energy: -315.337
where: short stacking energy: -155.132
Base-Backbone interact. energy: 2.075
local terms energy: -197.559049
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -37.999
flat angles C4'-P-C4' energy: -43.738
flat angles P-C4'-P energy: -33.171
tors. eta vs tors. theta energy: -35.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -459.301196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.301196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.301196 (E_RNA)
where:
Base-Base interactions energy: -276.101
where: short stacking energy: -149.409
Base-Backbone interact. energy: 3.009
local terms energy: -186.208995
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -239.394249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.394249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.394249 (E_RNA)
where:
Base-Base interactions energy: -69.117
where: short stacking energy: -67.696
Base-Backbone interact. energy: -2.004
local terms energy: -168.273095
where:
bonds (distance) C4'-P energy: -44.027
bonds (distance) P-C4' energy: -46.431
flat angles C4'-P-C4' energy: -45.987
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -917.862215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.862215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.862215 (E_RNA)
where:
Base-Base interactions energy: -594.633
where: short stacking energy: -260.643
Base-Backbone interact. energy: -1.720
local terms energy: -321.508842
where:
bonds (distance) C4'-P energy: -61.541
bonds (distance) P-C4' energy: -65.853
flat angles C4'-P-C4' energy: -60.175
flat angles P-C4'-P energy: -48.369
tors. eta vs tors. theta energy: -85.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -924.839075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.839075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.839075 (E_RNA)
where:
Base-Base interactions energy: -622.166
where: short stacking energy: -280.130
Base-Backbone interact. energy: 0.087
local terms energy: -302.760253
where:
bonds (distance) C4'-P energy: -55.775
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -59.295
flat angles P-C4'-P energy: -42.833
tors. eta vs tors. theta energy: -89.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -846.204471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.204471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.204471 (E_RNA)
where:
Base-Base interactions energy: -583.996
where: short stacking energy: -224.395
Base-Backbone interact. energy: -0.676
local terms energy: -261.533080
where:
bonds (distance) C4'-P energy: -59.046
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -42.954
tors. eta vs tors. theta energy: -49.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -819.085262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.085262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.085262 (E_RNA)
where:
Base-Base interactions energy: -547.868
where: short stacking energy: -260.384
Base-Backbone interact. energy: 1.200
local terms energy: -272.417404
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -55.273
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -70.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -761.445026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.445026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.445026 (E_RNA)
where:
Base-Base interactions energy: -504.527
where: short stacking energy: -228.021
Base-Backbone interact. energy: -0.359
local terms energy: -256.558671
where:
bonds (distance) C4'-P energy: -50.160
bonds (distance) P-C4' energy: -49.685
flat angles C4'-P-C4' energy: -51.267
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -64.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -614.090992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.090992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.090992 (E_RNA)
where:
Base-Base interactions energy: -394.908
where: short stacking energy: -184.102
Base-Backbone interact. energy: 3.604
local terms energy: -222.787125
where:
bonds (distance) C4'-P energy: -56.412
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -34.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -622.719348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.719348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.719348 (E_RNA)
where:
Base-Base interactions energy: -395.340
where: short stacking energy: -182.385
Base-Backbone interact. energy: -2.296
local terms energy: -225.083696
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -48.964
flat angles C4'-P-C4' energy: -48.109
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -47.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -556.230733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.230733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.230733 (E_RNA)
where:
Base-Base interactions energy: -345.893
where: short stacking energy: -167.874
Base-Backbone interact. energy: -0.947
local terms energy: -209.390877
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -47.329
flat angles C4'-P-C4' energy: -55.149
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -39.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -486.912017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.912017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.912017 (E_RNA)
where:
Base-Base interactions energy: -291.889
where: short stacking energy: -157.179
Base-Backbone interact. energy: 0.150
local terms energy: -195.172362
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -50.048
flat angles C4'-P-C4' energy: -41.568
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -35.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -253.208002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.208002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.208002 (E_RNA)
where:
Base-Base interactions energy: -102.967
where: short stacking energy: -74.802
Base-Backbone interact. energy: -0.415
local terms energy: -149.825825
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -45.112
flat angles C4'-P-C4' energy: -41.328
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: 5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -902.259239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.259239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.259239 (E_RNA)
where:
Base-Base interactions energy: -600.298
where: short stacking energy: -266.241
Base-Backbone interact. energy: -0.079
local terms energy: -301.881609
where:
bonds (distance) C4'-P energy: -63.191
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -44.928
tors. eta vs tors. theta energy: -73.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -902.509081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.509081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.509081 (E_RNA)
where:
Base-Base interactions energy: -605.328
where: short stacking energy: -270.874
Base-Backbone interact. energy: -0.618
local terms energy: -296.563433
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -52.400
flat angles C4'-P-C4' energy: -51.840
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -86.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -819.385655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.385655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.385655 (E_RNA)
where:
Base-Base interactions energy: -567.144
where: short stacking energy: -239.566
Base-Backbone interact. energy: 2.749
local terms energy: -254.990530
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -59.053
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -55.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -806.909733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.909733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.909733 (E_RNA)
where:
Base-Base interactions energy: -530.285
where: short stacking energy: -254.897
Base-Backbone interact. energy: -1.321
local terms energy: -275.303766
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -51.797
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -80.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -728.935062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.935062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.935062 (E_RNA)
where:
Base-Base interactions energy: -498.224
where: short stacking energy: -222.398
Base-Backbone interact. energy: 1.064
local terms energy: -231.774753
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -60.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -645.310269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.310269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.310269 (E_RNA)
where:
Base-Base interactions energy: -407.127
where: short stacking energy: -168.512
Base-Backbone interact. energy: -2.055
local terms energy: -236.129000
where:
bonds (distance) C4'-P energy: -48.443
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -59.303
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -40.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -610.116356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.116356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.116356 (E_RNA)
where:
Base-Base interactions energy: -391.795
where: short stacking energy: -179.402
Base-Backbone interact. energy: -0.461
local terms energy: -217.860509
where:
bonds (distance) C4'-P energy: -54.204
bonds (distance) P-C4' energy: -39.143
flat angles C4'-P-C4' energy: -50.941
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -42.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -549.934785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.934785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.934785 (E_RNA)
where:
Base-Base interactions energy: -345.145
where: short stacking energy: -159.945
Base-Backbone interact. energy: -1.080
local terms energy: -203.710299
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -56.296
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -33.577
tors. eta vs tors. theta energy: -25.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -528.432731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.432731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.432731 (E_RNA)
where:
Base-Base interactions energy: -327.813
where: short stacking energy: -165.284
Base-Backbone interact. energy: -1.353
local terms energy: -199.266864
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -45.696
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: -29.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -245.431896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.431896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.431896 (E_RNA)
where:
Base-Base interactions energy: -85.544
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.313
local terms energy: -159.574976
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -43.795
flat angles C4'-P-C4' energy: -45.820
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: 9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -913.848706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.848706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.848706 (E_RNA)
where:
Base-Base interactions energy: -605.714
where: short stacking energy: -275.105
Base-Backbone interact. energy: -3.347
local terms energy: -304.786972
where:
bonds (distance) C4'-P energy: -54.472
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -68.392
flat angles P-C4'-P energy: -48.504
tors. eta vs tors. theta energy: -83.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -921.835393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.835393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.835393 (E_RNA)
where:
Base-Base interactions energy: -609.572
where: short stacking energy: -270.987
Base-Backbone interact. energy: 1.837
local terms energy: -314.099957
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -60.717
flat angles C4'-P-C4' energy: -64.014
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -86.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -828.314095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.314095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.314095 (E_RNA)
where:
Base-Base interactions energy: -576.600
where: short stacking energy: -242.210
Base-Backbone interact. energy: 2.161
local terms energy: -253.875430
where:
bonds (distance) C4'-P energy: -43.806
bonds (distance) P-C4' energy: -58.642
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -39.124
tors. eta vs tors. theta energy: -55.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -790.161491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.161491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.161491 (E_RNA)
where:
Base-Base interactions energy: -533.936
where: short stacking energy: -248.838
Base-Backbone interact. energy: -1.641
local terms energy: -254.584404
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -44.096
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -76.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -716.288698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.288698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.288698 (E_RNA)
where:
Base-Base interactions energy: -475.440
where: short stacking energy: -198.765
Base-Backbone interact. energy: -1.555
local terms energy: -239.293732
where:
bonds (distance) C4'-P energy: -48.982
bonds (distance) P-C4' energy: -49.814
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -42.762
tors. eta vs tors. theta energy: -40.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -645.266815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.266815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.266815 (E_RNA)
where:
Base-Base interactions energy: -430.707
where: short stacking energy: -192.479
Base-Backbone interact. energy: 3.943
local terms energy: -218.502224
where:
bonds (distance) C4'-P energy: -47.191
bonds (distance) P-C4' energy: -52.030
flat angles C4'-P-C4' energy: -50.259
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -38.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -628.996477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.996477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.996477 (E_RNA)
where:
Base-Base interactions energy: -404.949
where: short stacking energy: -202.835
Base-Backbone interact. energy: -1.721
local terms energy: -222.326190
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -49.497
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -49.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -527.898314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.898314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.898314 (E_RNA)
where:
Base-Base interactions energy: -317.482
where: short stacking energy: -150.109
Base-Backbone interact. energy: -0.040
local terms energy: -210.377014
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -34.652
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -483.629048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.629048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.629048 (E_RNA)
where:
Base-Base interactions energy: -287.066
where: short stacking energy: -138.689
Base-Backbone interact. energy: 2.842
local terms energy: -199.404763
where:
bonds (distance) C4'-P energy: -49.649
bonds (distance) P-C4' energy: -52.051
flat angles C4'-P-C4' energy: -49.208
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -270.661148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.661148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.661148 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -94.490
Base-Backbone interact. energy: -1.086
local terms energy: -149.465535
where:
bonds (distance) C4'-P energy: -37.614
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -40.380
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -921.181834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.181834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.181834 (E_RNA)
where:
Base-Base interactions energy: -615.702
where: short stacking energy: -282.627
Base-Backbone interact. energy: -1.063
local terms energy: -304.416625
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -60.654
flat angles C4'-P-C4' energy: -66.501
flat angles P-C4'-P energy: -46.057
tors. eta vs tors. theta energy: -82.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -937.223350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.223350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.223350 (E_RNA)
where:
Base-Base interactions energy: -627.174
where: short stacking energy: -284.108
Base-Backbone interact. energy: -1.017
local terms energy: -309.032494
where:
bonds (distance) C4'-P energy: -51.127
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -65.705
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -90.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -799.053527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.053527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.053527 (E_RNA)
where:
Base-Base interactions energy: -535.254
where: short stacking energy: -218.860
Base-Backbone interact. energy: -2.637
local terms energy: -261.162706
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -55.053
flat angles C4'-P-C4' energy: -59.412
flat angles P-C4'-P energy: -42.851
tors. eta vs tors. theta energy: -55.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -799.528232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.528232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.528232 (E_RNA)
where:
Base-Base interactions energy: -529.828
where: short stacking energy: -256.989
Base-Backbone interact. energy: -0.916
local terms energy: -268.784031
where:
bonds (distance) C4'-P energy: -49.783
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -58.800
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -76.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -749.812620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.812620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.812620 (E_RNA)
where:
Base-Base interactions energy: -510.501
where: short stacking energy: -228.236
Base-Backbone interact. energy: 0.696
local terms energy: -240.007485
where:
bonds (distance) C4'-P energy: -34.019
bonds (distance) P-C4' energy: -53.921
flat angles C4'-P-C4' energy: -60.666
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -52.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -669.992776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.992776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.992776 (E_RNA)
where:
Base-Base interactions energy: -431.338
where: short stacking energy: -188.535
Base-Backbone interact. energy: 1.269
local terms energy: -239.923316
where:
bonds (distance) C4'-P energy: -50.706
bonds (distance) P-C4' energy: -59.495
flat angles C4'-P-C4' energy: -45.552
flat angles P-C4'-P energy: -36.081
tors. eta vs tors. theta energy: -48.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -728.903771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.903771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.903771 (E_RNA)
where:
Base-Base interactions energy: -494.083
where: short stacking energy: -223.227
Base-Backbone interact. energy: -0.559
local terms energy: -234.262230
where:
bonds (distance) C4'-P energy: -51.184
bonds (distance) P-C4' energy: -43.596
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -59.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -566.967275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.967275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.967275 (E_RNA)
where:
Base-Base interactions energy: -368.789
where: short stacking energy: -163.315
Base-Backbone interact. energy: -1.709
local terms energy: -196.469225
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -50.418
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -33.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -462.750488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.750488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.750488 (E_RNA)
where:
Base-Base interactions energy: -266.642
where: short stacking energy: -131.672
Base-Backbone interact. energy: 0.633
local terms energy: -196.741772
where:
bonds (distance) C4'-P energy: -46.504
bonds (distance) P-C4' energy: -45.424
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -244.826890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.826890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.826890 (E_RNA)
where:
Base-Base interactions energy: -99.349
where: short stacking energy: -70.397
Base-Backbone interact. energy: 2.302
local terms energy: -147.779617
where:
bonds (distance) C4'-P energy: -35.166
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -50.095
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: 6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -951.446333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.446333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.446333 (E_RNA)
where:
Base-Base interactions energy: -648.902
where: short stacking energy: -278.932
Base-Backbone interact. energy: -1.700
local terms energy: -300.843600
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -56.393
flat angles C4'-P-C4' energy: -62.162
flat angles P-C4'-P energy: -40.909
tors. eta vs tors. theta energy: -88.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -896.825584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.825584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.825584 (E_RNA)
where:
Base-Base interactions energy: -609.832
where: short stacking energy: -263.182
Base-Backbone interact. energy: -0.985
local terms energy: -286.008242
where:
bonds (distance) C4'-P energy: -45.963
bonds (distance) P-C4' energy: -56.379
flat angles C4'-P-C4' energy: -66.456
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -78.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -798.760590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.760590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.760590 (E_RNA)
where:
Base-Base interactions energy: -525.680
where: short stacking energy: -228.490
Base-Backbone interact. energy: -1.262
local terms energy: -271.819013
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -59.888
flat angles C4'-P-C4' energy: -56.509
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -57.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -844.840182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.840182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.840182 (E_RNA)
where:
Base-Base interactions energy: -551.154
where: short stacking energy: -275.219
Base-Backbone interact. energy: -0.682
local terms energy: -293.004395
where:
bonds (distance) C4'-P energy: -54.517
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -85.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -796.036795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.036795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.036795 (E_RNA)
where:
Base-Base interactions energy: -544.685
where: short stacking energy: -218.649
Base-Backbone interact. energy: -1.610
local terms energy: -249.741848
where:
bonds (distance) C4'-P energy: -53.490
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -54.658
flat angles P-C4'-P energy: -30.947
tors. eta vs tors. theta energy: -60.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -642.733639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.733639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.733639 (E_RNA)
where:
Base-Base interactions energy: -425.951
where: short stacking energy: -185.119
Base-Backbone interact. energy: -0.898
local terms energy: -215.885434
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -50.581
flat angles C4'-P-C4' energy: -53.639
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -36.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -731.701211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.701211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.701211 (E_RNA)
where:
Base-Base interactions energy: -513.375
where: short stacking energy: -232.037
Base-Backbone interact. energy: -0.236
local terms energy: -218.090502
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -39.871
flat angles C4'-P-C4' energy: -54.455
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -545.663662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.663662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.663662 (E_RNA)
where:
Base-Base interactions energy: -345.271
where: short stacking energy: -178.660
Base-Backbone interact. energy: -1.564
local terms energy: -198.828672
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -45.916
flat angles C4'-P-C4' energy: -36.565
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -37.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -461.479209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.479209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.479209 (E_RNA)
where:
Base-Base interactions energy: -264.057
where: short stacking energy: -132.984
Base-Backbone interact. energy: 0.163
local terms energy: -197.585517
where:
bonds (distance) C4'-P energy: -52.432
bonds (distance) P-C4' energy: -51.358
flat angles C4'-P-C4' energy: -48.774
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -257.645093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.645093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.645093 (E_RNA)
where:
Base-Base interactions energy: -120.247
where: short stacking energy: -82.974
Base-Backbone interact. energy: 0.656
local terms energy: -138.053676
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -38.907
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -961.898862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.898862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.898862 (E_RNA)
where:
Base-Base interactions energy: -642.912
where: short stacking energy: -282.937
Base-Backbone interact. energy: -0.198
local terms energy: -318.788354
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -61.392
flat angles C4'-P-C4' energy: -60.476
flat angles P-C4'-P energy: -44.652
tors. eta vs tors. theta energy: -92.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -920.835575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.835575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.835575 (E_RNA)
where:
Base-Base interactions energy: -624.136
where: short stacking energy: -286.783
Base-Backbone interact. energy: -0.595
local terms energy: -296.104865
where:
bonds (distance) C4'-P energy: -48.275
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -87.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -778.063341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.063341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.063341 (E_RNA)
where:
Base-Base interactions energy: -521.485
where: short stacking energy: -228.868
Base-Backbone interact. energy: -0.807
local terms energy: -255.771407
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -54.933
flat angles C4'-P-C4' energy: -53.255
flat angles P-C4'-P energy: -40.697
tors. eta vs tors. theta energy: -50.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -864.185652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.185652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.185652 (E_RNA)
where:
Base-Base interactions energy: -584.689
where: short stacking energy: -262.289
Base-Backbone interact. energy: -1.561
local terms energy: -277.935711
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -55.675
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -82.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -830.246079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.246079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.246079 (E_RNA)
where:
Base-Base interactions energy: -574.657
where: short stacking energy: -235.145
Base-Backbone interact. energy: -1.441
local terms energy: -254.147619
where:
bonds (distance) C4'-P energy: -47.486
bonds (distance) P-C4' energy: -56.276
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -34.500
tors. eta vs tors. theta energy: -63.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -748.181297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.181297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.181297 (E_RNA)
where:
Base-Base interactions energy: -518.712
where: short stacking energy: -213.145
Base-Backbone interact. energy: -2.615
local terms energy: -226.854351
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -50.119
flat angles C4'-P-C4' energy: -51.040
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -50.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -652.552073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.552073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.552073 (E_RNA)
where:
Base-Base interactions energy: -441.875
where: short stacking energy: -197.617
Base-Backbone interact. energy: 0.256
local terms energy: -210.933315
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -468.085282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.085282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.085282 (E_RNA)
where:
Base-Base interactions energy: -277.713
where: short stacking energy: -155.706
Base-Backbone interact. energy: 3.459
local terms energy: -193.831777
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -41.517
flat angles P-C4'-P energy: -28.157
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -551.813713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.813713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.813713 (E_RNA)
where:
Base-Base interactions energy: -337.699
where: short stacking energy: -168.510
Base-Backbone interact. energy: -0.916
local terms energy: -213.198769
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -43.955
flat angles C4'-P-C4' energy: -48.372
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: -39.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -257.242437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.242437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.242437 (E_RNA)
where:
Base-Base interactions energy: -93.179
where: short stacking energy: -69.482
Base-Backbone interact. energy: 1.336
local terms energy: -165.399575
where:
bonds (distance) C4'-P energy: -48.235
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: 2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -960.237271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.237271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.237271 (E_RNA)
where:
Base-Base interactions energy: -648.905
where: short stacking energy: -279.094
Base-Backbone interact. energy: 0.042
local terms energy: -311.374534
where:
bonds (distance) C4'-P energy: -57.764
bonds (distance) P-C4' energy: -60.572
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: -89.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -896.283969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.283969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.283969 (E_RNA)
where:
Base-Base interactions energy: -610.405
where: short stacking energy: -263.281
Base-Backbone interact. energy: 0.273
local terms energy: -286.152168
where:
bonds (distance) C4'-P energy: -53.573
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -79.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -852.056345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.056345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.056345 (E_RNA)
where:
Base-Base interactions energy: -560.764
where: short stacking energy: -266.989
Base-Backbone interact. energy: -0.767
local terms energy: -290.525549
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -61.698
flat angles C4'-P-C4' energy: -64.862
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -77.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -780.148707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.148707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.148707 (E_RNA)
where:
Base-Base interactions energy: -513.896
where: short stacking energy: -228.035
Base-Backbone interact. energy: 1.296
local terms energy: -267.549001
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -55.932
flat angles C4'-P-C4' energy: -66.044
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -55.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -810.336567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.336567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.336567 (E_RNA)
where:
Base-Base interactions energy: -566.600
where: short stacking energy: -219.716
Base-Backbone interact. energy: -2.037
local terms energy: -241.699664
where:
bonds (distance) C4'-P energy: -46.822
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -49.573
flat angles P-C4'-P energy: -28.920
tors. eta vs tors. theta energy: -64.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -679.548464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.548464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.548464 (E_RNA)
where:
Base-Base interactions energy: -432.300
where: short stacking energy: -191.809
Base-Backbone interact. energy: -2.326
local terms energy: -244.922081
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -60.421
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -615.943977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.943977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.943977 (E_RNA)
where:
Base-Base interactions energy: -411.008
where: short stacking energy: -187.168
Base-Backbone interact. energy: -1.132
local terms energy: -203.803980
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -47.113
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -41.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -478.866037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.866037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.866037 (E_RNA)
where:
Base-Base interactions energy: -281.465
where: short stacking energy: -128.397
Base-Backbone interact. energy: 0.254
local terms energy: -197.654557
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -63.422
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -527.638943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.638943 (E_RNA)
where:
Base-Base interactions energy: -333.610
where: short stacking energy: -162.666
Base-Backbone interact. energy: -1.136
local terms energy: -192.892718
where:
bonds (distance) C4'-P energy: -48.433
bonds (distance) P-C4' energy: -55.575
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -29.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -295.695348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.695348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.695348 (E_RNA)
where:
Base-Base interactions energy: -135.359
where: short stacking energy: -93.212
Base-Backbone interact. energy: -0.101
local terms energy: -160.234812
where:
bonds (distance) C4'-P energy: -47.311
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -46.487
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: 2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -953.157542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.157542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.157542 (E_RNA)
where:
Base-Base interactions energy: -639.870
where: short stacking energy: -296.713
Base-Backbone interact. energy: -0.538
local terms energy: -312.749840
where:
bonds (distance) C4'-P energy: -61.467
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -91.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -893.766902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.766902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.766902 (E_RNA)
where:
Base-Base interactions energy: -594.120
where: short stacking energy: -254.725
Base-Backbone interact. energy: -0.450
local terms energy: -299.197080
where:
bonds (distance) C4'-P energy: -60.256
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -64.368
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -79.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -887.858488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.858488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.858488 (E_RNA)
where:
Base-Base interactions energy: -601.348
where: short stacking energy: -250.332
Base-Backbone interact. energy: -1.625
local terms energy: -284.885571
where:
bonds (distance) C4'-P energy: -57.427
bonds (distance) P-C4' energy: -53.790
flat angles C4'-P-C4' energy: -52.509
flat angles P-C4'-P energy: -45.456
tors. eta vs tors. theta energy: -75.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -816.710015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.710015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.710015 (E_RNA)
where:
Base-Base interactions energy: -561.288
where: short stacking energy: -238.931
Base-Backbone interact. energy: 0.419
local terms energy: -255.840998
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -53.734
flat angles C4'-P-C4' energy: -51.116
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -66.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -774.432252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.432252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.432252 (E_RNA)
where:
Base-Base interactions energy: -522.560
where: short stacking energy: -224.274
Base-Backbone interact. energy: -0.102
local terms energy: -251.770393
where:
bonds (distance) C4'-P energy: -42.559
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -50.749
flat angles P-C4'-P energy: -42.418
tors. eta vs tors. theta energy: -64.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -728.921710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.921710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.921710 (E_RNA)
where:
Base-Base interactions energy: -471.697
where: short stacking energy: -220.501
Base-Backbone interact. energy: -0.647
local terms energy: -256.577372
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -53.992
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -62.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -615.979118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.979118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.979118 (E_RNA)
where:
Base-Base interactions energy: -398.584
where: short stacking energy: -174.441
Base-Backbone interact. energy: 3.919
local terms energy: -221.314505
where:
bonds (distance) C4'-P energy: -46.546
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -46.618
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -35.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -540.805948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.805948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.805948 (E_RNA)
where:
Base-Base interactions energy: -336.364
where: short stacking energy: -167.043
Base-Backbone interact. energy: 1.504
local terms energy: -205.945689
where:
bonds (distance) C4'-P energy: -51.270
bonds (distance) P-C4' energy: -42.130
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -29.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -469.828751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.828751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.828751 (E_RNA)
where:
Base-Base interactions energy: -277.314
where: short stacking energy: -142.384
Base-Backbone interact. energy: -0.432
local terms energy: -192.082911
where:
bonds (distance) C4'-P energy: -40.873
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -29.342
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -306.654606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.654606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.654606 (E_RNA)
where:
Base-Base interactions energy: -140.524
where: short stacking energy: -101.699
Base-Backbone interact. energy: -0.706
local terms energy: -165.424969
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -49.435
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -953.023395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.023395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.023395 (E_RNA)
where:
Base-Base interactions energy: -641.067
where: short stacking energy: -293.672
Base-Backbone interact. energy: -1.026
local terms energy: -310.931156
where:
bonds (distance) C4'-P energy: -57.685
bonds (distance) P-C4' energy: -59.803
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -90.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -896.932336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.932336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.932336 (E_RNA)
where:
Base-Base interactions energy: -584.151
where: short stacking energy: -260.814
Base-Backbone interact. energy: 1.019
local terms energy: -313.799992
where:
bonds (distance) C4'-P energy: -65.691
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -84.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -890.985776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.985776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.985776 (E_RNA)
where:
Base-Base interactions energy: -623.948
where: short stacking energy: -258.016
Base-Backbone interact. energy: -1.483
local terms energy: -265.555248
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -45.146
flat angles C4'-P-C4' energy: -60.265
flat angles P-C4'-P energy: -38.864
tors. eta vs tors. theta energy: -80.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -814.596835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.596835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.596835 (E_RNA)
where:
Base-Base interactions energy: -567.863
where: short stacking energy: -226.133
Base-Backbone interact. energy: 2.529
local terms energy: -249.262699
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -50.048
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -59.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -761.417787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.417787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.417787 (E_RNA)
where:
Base-Base interactions energy: -492.145
where: short stacking energy: -228.801
Base-Backbone interact. energy: -0.984
local terms energy: -268.288806
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -63.778
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -36.345
tors. eta vs tors. theta energy: -68.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -735.392991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.392991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.392991 (E_RNA)
where:
Base-Base interactions energy: -491.523
where: short stacking energy: -224.638
Base-Backbone interact. energy: -0.460
local terms energy: -243.410447
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -53.750
flat angles P-C4'-P energy: -35.198
tors. eta vs tors. theta energy: -60.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -647.666375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.666375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.666375 (E_RNA)
where:
Base-Base interactions energy: -430.706
where: short stacking energy: -200.169
Base-Backbone interact. energy: -1.126
local terms energy: -215.834300
where:
bonds (distance) C4'-P energy: -56.060
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -49.368
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -37.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -536.013339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.013339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.013339 (E_RNA)
where:
Base-Base interactions energy: -326.301
where: short stacking energy: -159.169
Base-Backbone interact. energy: -0.928
local terms energy: -208.783906
where:
bonds (distance) C4'-P energy: -54.249
bonds (distance) P-C4' energy: -60.602
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -34.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -471.122783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.122783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.122783 (E_RNA)
where:
Base-Base interactions energy: -281.272
where: short stacking energy: -133.485
Base-Backbone interact. energy: 1.383
local terms energy: -191.233796
where:
bonds (distance) C4'-P energy: -50.165
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -41.888
flat angles P-C4'-P energy: -32.972
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -303.011554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.011554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.011554 (E_RNA)
where:
Base-Base interactions energy: -135.358
where: short stacking energy: -96.245
Base-Backbone interact. energy: -0.798
local terms energy: -166.855483
where:
bonds (distance) C4'-P energy: -53.757
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -946.668342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.668342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.668342 (E_RNA)
where:
Base-Base interactions energy: -646.735
where: short stacking energy: -290.079
Base-Backbone interact. energy: -0.149
local terms energy: -299.784542
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -52.357
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -88.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -915.148079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.148079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.148079 (E_RNA)
where:
Base-Base interactions energy: -608.644
where: short stacking energy: -274.554
Base-Backbone interact. energy: -1.777
local terms energy: -304.727536
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -61.351
flat angles C4'-P-C4' energy: -61.295
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -85.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -865.674237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.674237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.674237 (E_RNA)
where:
Base-Base interactions energy: -582.591
where: short stacking energy: -261.368
Base-Backbone interact. energy: -1.324
local terms energy: -281.759231
where:
bonds (distance) C4'-P energy: -50.709
bonds (distance) P-C4' energy: -53.828
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -36.843
tors. eta vs tors. theta energy: -81.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -784.694517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.694517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.694517 (E_RNA)
where:
Base-Base interactions energy: -506.475
where: short stacking energy: -238.522
Base-Backbone interact. energy: 0.398
local terms energy: -278.617878
where:
bonds (distance) C4'-P energy: -53.517
bonds (distance) P-C4' energy: -57.711
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -63.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -797.232538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.232538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.232538 (E_RNA)
where:
Base-Base interactions energy: -538.659
where: short stacking energy: -230.230
Base-Backbone interact. energy: -2.703
local terms energy: -255.870747
where:
bonds (distance) C4'-P energy: -48.434
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -55.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -746.413587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.413587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.413587 (E_RNA)
where:
Base-Base interactions energy: -497.468
where: short stacking energy: -221.907
Base-Backbone interact. energy: -1.311
local terms energy: -247.634300
where:
bonds (distance) C4'-P energy: -46.175
bonds (distance) P-C4' energy: -55.450
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: -58.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -629.035494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.035494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.035494 (E_RNA)
where:
Base-Base interactions energy: -410.197
where: short stacking energy: -188.325
Base-Backbone interact. energy: 0.415
local terms energy: -219.253627
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -49.706
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -37.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -485.852379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.852379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.852379 (E_RNA)
where:
Base-Base interactions energy: -299.130
where: short stacking energy: -143.052
Base-Backbone interact. energy: 0.299
local terms energy: -187.021470
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -41.778
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: -29.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -490.019252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.019252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.019252 (E_RNA)
where:
Base-Base interactions energy: -310.228
where: short stacking energy: -123.227
Base-Backbone interact. energy: -0.305
local terms energy: -179.486573
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -41.666
flat angles C4'-P-C4' energy: -35.437
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -326.531989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.531989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.531989 (E_RNA)
where:
Base-Base interactions energy: -168.628
where: short stacking energy: -99.827
Base-Backbone interact. energy: 1.547
local terms energy: -159.451264
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -943.526331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.526331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.526331 (E_RNA)
where:
Base-Base interactions energy: -638.996
where: short stacking energy: -287.965
Base-Backbone interact. energy: -0.198
local terms energy: -304.332108
where:
bonds (distance) C4'-P energy: -53.385
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -56.552
flat angles P-C4'-P energy: -52.944
tors. eta vs tors. theta energy: -88.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -906.390533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.390533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.390533 (E_RNA)
where:
Base-Base interactions energy: -606.240
where: short stacking energy: -271.505
Base-Backbone interact. energy: -2.265
local terms energy: -297.886203
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -54.368
flat angles C4'-P-C4' energy: -61.504
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -84.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -895.460546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.460546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.460546 (E_RNA)
where:
Base-Base interactions energy: -608.749
where: short stacking energy: -270.787
Base-Backbone interact. energy: -0.097
local terms energy: -286.615210
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -62.502
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -39.364
tors. eta vs tors. theta energy: -80.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -818.449302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.449302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.449302 (E_RNA)
where:
Base-Base interactions energy: -533.728
where: short stacking energy: -235.302
Base-Backbone interact. energy: -0.174
local terms energy: -284.547045
where:
bonds (distance) C4'-P energy: -63.003
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -60.950
flat angles P-C4'-P energy: -41.835
tors. eta vs tors. theta energy: -67.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -777.968144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.968144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.968144 (E_RNA)
where:
Base-Base interactions energy: -535.517
where: short stacking energy: -233.760
Base-Backbone interact. energy: -0.063
local terms energy: -242.387895
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -45.799
flat angles C4'-P-C4' energy: -56.077
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -59.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -696.227554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.227554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.227554 (E_RNA)
where:
Base-Base interactions energy: -475.176
where: short stacking energy: -217.542
Base-Backbone interact. energy: -1.541
local terms energy: -219.511027
where:
bonds (distance) C4'-P energy: -49.242
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -53.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -606.230785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.230785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.230785 (E_RNA)
where:
Base-Base interactions energy: -393.161
where: short stacking energy: -181.089
Base-Backbone interact. energy: 1.401
local terms energy: -214.470496
where:
bonds (distance) C4'-P energy: -52.248
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -52.206
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -484.845336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.845336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.845336 (E_RNA)
where:
Base-Base interactions energy: -283.390
where: short stacking energy: -138.130
Base-Backbone interact. energy: -0.339
local terms energy: -201.116407
where:
bonds (distance) C4'-P energy: -50.700
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -41.114
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -458.572476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.572476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.572476 (E_RNA)
where:
Base-Base interactions energy: -269.972
where: short stacking energy: -116.080
Base-Backbone interact. energy: -0.688
local terms energy: -187.912519
where:
bonds (distance) C4'-P energy: -47.501
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -52.629
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -316.643776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.643776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.643776 (E_RNA)
where:
Base-Base interactions energy: -166.567
where: short stacking energy: -108.096
Base-Backbone interact. energy: 0.899
local terms energy: -150.976197
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -37.455
flat angles C4'-P-C4' energy: -43.789
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -945.055870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.055870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.055870 (E_RNA)
where:
Base-Base interactions energy: -622.535
where: short stacking energy: -269.768
Base-Backbone interact. energy: -0.793
local terms energy: -321.727931
where:
bonds (distance) C4'-P energy: -59.508
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -70.236
flat angles P-C4'-P energy: -49.205
tors. eta vs tors. theta energy: -83.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -903.559566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.559566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.559566 (E_RNA)
where:
Base-Base interactions energy: -611.827
where: short stacking energy: -280.232
Base-Backbone interact. energy: -0.437
local terms energy: -291.295704
where:
bonds (distance) C4'-P energy: -49.493
bonds (distance) P-C4' energy: -58.668
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -77.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -885.804436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.804436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.804436 (E_RNA)
where:
Base-Base interactions energy: -597.669
where: short stacking energy: -286.783
Base-Backbone interact. energy: 3.390
local terms energy: -291.525158
where:
bonds (distance) C4'-P energy: -49.243
bonds (distance) P-C4' energy: -46.922
flat angles C4'-P-C4' energy: -65.104
flat angles P-C4'-P energy: -37.699
tors. eta vs tors. theta energy: -92.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -801.558645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.558645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.558645 (E_RNA)
where:
Base-Base interactions energy: -533.232
where: short stacking energy: -245.817
Base-Backbone interact. energy: -1.583
local terms energy: -266.744189
where:
bonds (distance) C4'-P energy: -57.299
bonds (distance) P-C4' energy: -49.269
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -38.233
tors. eta vs tors. theta energy: -65.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -776.669175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.669175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.669175 (E_RNA)
where:
Base-Base interactions energy: -501.294
where: short stacking energy: -221.785
Base-Backbone interact. energy: -1.320
local terms energy: -274.054609
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: -69.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -655.136575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.136575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.136575 (E_RNA)
where:
Base-Base interactions energy: -439.538
where: short stacking energy: -183.642
Base-Backbone interact. energy: -2.050
local terms energy: -213.549218
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -47.662
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -55.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -610.158343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.158343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.158343 (E_RNA)
where:
Base-Base interactions energy: -394.410
where: short stacking energy: -173.989
Base-Backbone interact. energy: -0.586
local terms energy: -215.162511
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -513.531661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.531661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.531661 (E_RNA)
where:
Base-Base interactions energy: -303.516
where: short stacking energy: -156.766
Base-Backbone interact. energy: -0.960
local terms energy: -209.055513
where:
bonds (distance) C4'-P energy: -52.769
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -49.992
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -449.820002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.820002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.820002 (E_RNA)
where:
Base-Base interactions energy: -267.297
where: short stacking energy: -140.053
Base-Backbone interact. energy: -0.158
local terms energy: -182.364889
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -307.280119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.280119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.280119 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -92.601
Base-Backbone interact. energy: 1.696
local terms energy: -167.960459
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -52.081
flat angles C4'-P-C4' energy: -52.734
flat angles P-C4'-P energy: -18.623
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -926.006686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.006686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.006686 (E_RNA)
where:
Base-Base interactions energy: -627.282
where: short stacking energy: -282.913
Base-Backbone interact. energy: -2.653
local terms energy: -296.071151
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -57.814
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -80.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -941.565331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.565331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.565331 (E_RNA)
where:
Base-Base interactions energy: -636.175
where: short stacking energy: -302.532
Base-Backbone interact. energy: 0.444
local terms energy: -305.834318
where:
bonds (distance) C4'-P energy: -57.697
bonds (distance) P-C4' energy: -47.959
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -45.523
tors. eta vs tors. theta energy: -90.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -874.394318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.394318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.394318 (E_RNA)
where:
Base-Base interactions energy: -581.986
where: short stacking energy: -265.750
Base-Backbone interact. energy: 2.065
local terms energy: -294.474068
where:
bonds (distance) C4'-P energy: -59.556
bonds (distance) P-C4' energy: -57.415
flat angles C4'-P-C4' energy: -63.990
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -83.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -774.783589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.783589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.783589 (E_RNA)
where:
Base-Base interactions energy: -523.741
where: short stacking energy: -223.363
Base-Backbone interact. energy: -2.648
local terms energy: -248.394207
where:
bonds (distance) C4'-P energy: -42.719
bonds (distance) P-C4' energy: -52.576
flat angles C4'-P-C4' energy: -55.126
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -59.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -761.423309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.423309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.423309 (E_RNA)
where:
Base-Base interactions energy: -509.106
where: short stacking energy: -219.268
Base-Backbone interact. energy: -0.553
local terms energy: -251.763940
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -53.618
flat angles P-C4'-P energy: -29.266
tors. eta vs tors. theta energy: -64.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -682.059814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.059814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.059814 (E_RNA)
where:
Base-Base interactions energy: -454.313
where: short stacking energy: -211.763
Base-Backbone interact. energy: -1.309
local terms energy: -226.438751
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -59.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -616.433729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.433729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.433729 (E_RNA)
where:
Base-Base interactions energy: -406.445
where: short stacking energy: -181.105
Base-Backbone interact. energy: -0.100
local terms energy: -209.888638
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -49.194
flat angles C4'-P-C4' energy: -42.790
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -474.041084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.041084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.041084 (E_RNA)
where:
Base-Base interactions energy: -284.986
where: short stacking energy: -131.971
Base-Backbone interact. energy: -2.111
local terms energy: -186.944521
where:
bonds (distance) C4'-P energy: -40.434
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -46.521
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -461.274806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.274806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.274806 (E_RNA)
where:
Base-Base interactions energy: -268.433
where: short stacking energy: -120.008
Base-Backbone interact. energy: 1.482
local terms energy: -194.323630
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -38.847
flat angles C4'-P-C4' energy: -53.360
flat angles P-C4'-P energy: -36.353
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -285.659054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.659054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.659054 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.315
local terms energy: -170.380530
where:
bonds (distance) C4'-P energy: -58.352
bonds (distance) P-C4' energy: -40.810
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: 12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -917.044393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.044393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.044393 (E_RNA)
where:
Base-Base interactions energy: -608.657
where: short stacking energy: -267.264
Base-Backbone interact. energy: -2.385
local terms energy: -306.002022
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -57.937
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -40.699
tors. eta vs tors. theta energy: -82.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -926.992083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.992083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.992083 (E_RNA)
where:
Base-Base interactions energy: -630.332
where: short stacking energy: -283.984
Base-Backbone interact. energy: -0.949
local terms energy: -295.710987
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -57.997
flat angles C4'-P-C4' energy: -65.144
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -87.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -885.822175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.822175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.822175 (E_RNA)
where:
Base-Base interactions energy: -598.461
where: short stacking energy: -255.824
Base-Backbone interact. energy: -3.043
local terms energy: -284.317903
where:
bonds (distance) C4'-P energy: -63.544
bonds (distance) P-C4' energy: -48.947
flat angles C4'-P-C4' energy: -58.658
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: -76.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -806.511837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.511837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.511837 (E_RNA)
where:
Base-Base interactions energy: -542.455
where: short stacking energy: -233.753
Base-Backbone interact. energy: -3.189
local terms energy: -260.867812
where:
bonds (distance) C4'-P energy: -40.276
bonds (distance) P-C4' energy: -54.498
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -65.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -741.496125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.496125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.496125 (E_RNA)
where:
Base-Base interactions energy: -467.125
where: short stacking energy: -219.068
Base-Backbone interact. energy: 0.906
local terms energy: -275.277130
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -57.525
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -63.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -694.242008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.242008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.242008 (E_RNA)
where:
Base-Base interactions energy: -467.346
where: short stacking energy: -199.541
Base-Backbone interact. energy: -0.257
local terms energy: -226.638946
where:
bonds (distance) C4'-P energy: -46.982
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -60.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -538.989452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.989452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.989452 (E_RNA)
where:
Base-Base interactions energy: -347.443
where: short stacking energy: -154.045
Base-Backbone interact. energy: -0.029
local terms energy: -191.517377
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -46.773
flat angles C4'-P-C4' energy: -49.283
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -499.595382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.595382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.595382 (E_RNA)
where:
Base-Base interactions energy: -293.047
where: short stacking energy: -141.989
Base-Backbone interact. energy: -0.386
local terms energy: -206.161966
where:
bonds (distance) C4'-P energy: -40.482
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -40.408
flat angles P-C4'-P energy: -39.699
tors. eta vs tors. theta energy: -35.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -438.084440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.084440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.084440 (E_RNA)
where:
Base-Base interactions energy: -255.631
where: short stacking energy: -137.501
Base-Backbone interact. energy: -0.448
local terms energy: -182.005602
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -42.437
flat angles C4'-P-C4' energy: -50.485
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -250.558156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.558156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.558156 (E_RNA)
where:
Base-Base interactions energy: -104.017
where: short stacking energy: -84.873
Base-Backbone interact. energy: -0.650
local terms energy: -145.890458
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -969.956047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.956047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.956047 (E_RNA)
where:
Base-Base interactions energy: -663.743
where: short stacking energy: -293.843
Base-Backbone interact. energy: -0.553
local terms energy: -305.660044
where:
bonds (distance) C4'-P energy: -55.921
bonds (distance) P-C4' energy: -59.042
flat angles C4'-P-C4' energy: -65.448
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -83.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -911.677586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.677586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.677586 (E_RNA)
where:
Base-Base interactions energy: -603.384
where: short stacking energy: -274.989
Base-Backbone interact. energy: -3.369
local terms energy: -304.925088
where:
bonds (distance) C4'-P energy: -55.541
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -65.870
flat angles P-C4'-P energy: -43.841
tors. eta vs tors. theta energy: -85.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -878.265228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.265228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.265228 (E_RNA)
where:
Base-Base interactions energy: -583.878
where: short stacking energy: -279.656
Base-Backbone interact. energy: -0.021
local terms energy: -294.366182
where:
bonds (distance) C4'-P energy: -58.083
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -62.848
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -80.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -841.635896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.635896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.635896 (E_RNA)
where:
Base-Base interactions energy: -574.226
where: short stacking energy: -269.417
Base-Backbone interact. energy: -1.146
local terms energy: -266.263749
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -48.602
flat angles C4'-P-C4' energy: -50.850
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -77.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -729.190236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.190236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.190236 (E_RNA)
where:
Base-Base interactions energy: -490.443
where: short stacking energy: -238.619
Base-Backbone interact. energy: -1.165
local terms energy: -237.582176
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -57.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -706.612866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.612866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.612866 (E_RNA)
where:
Base-Base interactions energy: -466.569
where: short stacking energy: -204.413
Base-Backbone interact. energy: 0.171
local terms energy: -240.214095
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -58.146
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -46.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -554.409685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.409685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.409685 (E_RNA)
where:
Base-Base interactions energy: -336.115
where: short stacking energy: -153.501
Base-Backbone interact. energy: 0.756
local terms energy: -219.051210
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -56.040
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -33.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -478.358983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.358983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.358983 (E_RNA)
where:
Base-Base interactions energy: -266.057
where: short stacking energy: -152.778
Base-Backbone interact. energy: -1.068
local terms energy: -211.233975
where:
bonds (distance) C4'-P energy: -40.309
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -34.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -449.046851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.046851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.046851 (E_RNA)
where:
Base-Base interactions energy: -265.618
where: short stacking energy: -136.971
Base-Backbone interact. energy: -1.576
local terms energy: -181.853123
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -48.137
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -249.299227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.299227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.299227 (E_RNA)
where:
Base-Base interactions energy: -95.896
where: short stacking energy: -75.486
Base-Backbone interact. energy: 0.107
local terms energy: -153.510103
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -56.865
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -967.966224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.966224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.966224 (E_RNA)
where:
Base-Base interactions energy: -648.981
where: short stacking energy: -294.680
Base-Backbone interact. energy: -0.745
local terms energy: -318.240560
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -66.958
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -92.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -905.054388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.054388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.054388 (E_RNA)
where:
Base-Base interactions energy: -614.169
where: short stacking energy: -277.535
Base-Backbone interact. energy: -0.828
local terms energy: -290.056444
where:
bonds (distance) C4'-P energy: -58.345
bonds (distance) P-C4' energy: -47.122
flat angles C4'-P-C4' energy: -62.297
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -83.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -881.063764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.063764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.063764 (E_RNA)
where:
Base-Base interactions energy: -590.903
where: short stacking energy: -279.938
Base-Backbone interact. energy: -2.621
local terms energy: -287.540254
where:
bonds (distance) C4'-P energy: -54.477
bonds (distance) P-C4' energy: -53.102
flat angles C4'-P-C4' energy: -61.816
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -80.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -851.516224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.516224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.516224 (E_RNA)
where:
Base-Base interactions energy: -564.029
where: short stacking energy: -264.144
Base-Backbone interact. energy: 0.983
local terms energy: -288.469820
where:
bonds (distance) C4'-P energy: -54.388
bonds (distance) P-C4' energy: -52.495
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -79.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -727.237036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.237036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.237036 (E_RNA)
where:
Base-Base interactions energy: -493.335
where: short stacking energy: -222.510
Base-Backbone interact. energy: -0.136
local terms energy: -233.766332
where:
bonds (distance) C4'-P energy: -55.342
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -53.801
flat angles P-C4'-P energy: -29.923
tors. eta vs tors. theta energy: -48.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -704.260632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.260632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.260632 (E_RNA)
where:
Base-Base interactions energy: -471.564
where: short stacking energy: -211.578
Base-Backbone interact. energy: 1.413
local terms energy: -234.109490
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -53.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -581.255957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.255957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.255957 (E_RNA)
where:
Base-Base interactions energy: -366.122
where: short stacking energy: -182.970
Base-Backbone interact. energy: -0.844
local terms energy: -214.289575
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -29.874
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -511.299947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.299947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.299947 (E_RNA)
where:
Base-Base interactions energy: -289.035
where: short stacking energy: -157.085
Base-Backbone interact. energy: -0.298
local terms energy: -221.967048
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -50.402
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -37.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -441.946615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.946615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.946615 (E_RNA)
where:
Base-Base interactions energy: -254.800
where: short stacking energy: -112.687
Base-Backbone interact. energy: 1.949
local terms energy: -189.095515
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -49.892
flat angles C4'-P-C4' energy: -53.662
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -234.901277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.901277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.901277 (E_RNA)
where:
Base-Base interactions energy: -85.213
where: short stacking energy: -76.609
Base-Backbone interact. energy: 1.585
local terms energy: -151.273159
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -21.303
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -961.162156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.162156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.162156 (E_RNA)
where:
Base-Base interactions energy: -647.519
where: short stacking energy: -299.646
Base-Backbone interact. energy: -1.130
local terms energy: -312.513575
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -69.721
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -83.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -921.192537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.192537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.192537 (E_RNA)
where:
Base-Base interactions energy: -632.383
where: short stacking energy: -277.357
Base-Backbone interact. energy: -1.121
local terms energy: -287.688080
where:
bonds (distance) C4'-P energy: -56.009
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -83.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -883.639718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.639718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.639718 (E_RNA)
where:
Base-Base interactions energy: -596.470
where: short stacking energy: -275.683
Base-Backbone interact. energy: -0.420
local terms energy: -286.749328
where:
bonds (distance) C4'-P energy: -46.858
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -79.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -838.222318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.222318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.222318 (E_RNA)
where:
Base-Base interactions energy: -564.488
where: short stacking energy: -251.492
Base-Backbone interact. energy: 0.679
local terms energy: -274.413388
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -54.938
flat angles C4'-P-C4' energy: -62.237
flat angles P-C4'-P energy: -31.783
tors. eta vs tors. theta energy: -75.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -770.292465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.292465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.292465 (E_RNA)
where:
Base-Base interactions energy: -509.066
where: short stacking energy: -218.647
Base-Backbone interact. energy: -2.710
local terms energy: -258.517023
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -51.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -748.588006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.588006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.588006 (E_RNA)
where:
Base-Base interactions energy: -511.001
where: short stacking energy: -236.619
Base-Backbone interact. energy: -0.950
local terms energy: -236.636477
where:
bonds (distance) C4'-P energy: -42.092
bonds (distance) P-C4' energy: -46.498
flat angles C4'-P-C4' energy: -51.938
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -65.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -543.583942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.583942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.583942 (E_RNA)
where:
Base-Base interactions energy: -326.873
where: short stacking energy: -184.649
Base-Backbone interact. energy: 0.521
local terms energy: -217.231977
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -29.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -479.732882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.732882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.732882 (E_RNA)
where:
Base-Base interactions energy: -278.553
where: short stacking energy: -154.292
Base-Backbone interact. energy: -1.450
local terms energy: -199.729906
where:
bonds (distance) C4'-P energy: -53.840
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -23.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -453.200772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.200772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.200772 (E_RNA)
where:
Base-Base interactions energy: -254.928
where: short stacking energy: -134.544
Base-Backbone interact. energy: -1.010
local terms energy: -197.262438
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -58.796
flat angles C4'-P-C4' energy: -42.945
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -254.443463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.443463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.443463 (E_RNA)
where:
Base-Base interactions energy: -97.845
where: short stacking energy: -84.433
Base-Backbone interact. energy: -0.374
local terms energy: -156.224841
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: 3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -966.831399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.831399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.831399 (E_RNA)
where:
Base-Base interactions energy: -655.259
where: short stacking energy: -294.963
Base-Backbone interact. energy: -0.338
local terms energy: -311.235174
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -42.365
tors. eta vs tors. theta energy: -85.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -920.158805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.158805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.158805 (E_RNA)
where:
Base-Base interactions energy: -630.845
where: short stacking energy: -279.569
Base-Backbone interact. energy: -0.609
local terms energy: -288.704472
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -41.147
tors. eta vs tors. theta energy: -80.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -883.167086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.167086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.167086 (E_RNA)
where:
Base-Base interactions energy: -603.735
where: short stacking energy: -268.720
Base-Backbone interact. energy: -1.536
local terms energy: -277.896553
where:
bonds (distance) C4'-P energy: -44.283
bonds (distance) P-C4' energy: -55.049
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -79.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -798.599466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.599466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.599466 (E_RNA)
where:
Base-Base interactions energy: -539.079
where: short stacking energy: -239.278
Base-Backbone interact. energy: -4.079
local terms energy: -255.440862
where:
bonds (distance) C4'-P energy: -46.575
bonds (distance) P-C4' energy: -48.897
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -38.150
tors. eta vs tors. theta energy: -62.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -801.041609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.041609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.041609 (E_RNA)
where:
Base-Base interactions energy: -551.040
where: short stacking energy: -254.850
Base-Backbone interact. energy: -0.579
local terms energy: -249.423277
where:
bonds (distance) C4'-P energy: -52.305
bonds (distance) P-C4' energy: -45.840
flat angles C4'-P-C4' energy: -54.166
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: -69.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -787.205705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.205705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.205705 (E_RNA)
where:
Base-Base interactions energy: -532.290
where: short stacking energy: -247.036
Base-Backbone interact. energy: -0.598
local terms energy: -254.317706
where:
bonds (distance) C4'-P energy: -40.152
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -32.025
tors. eta vs tors. theta energy: -80.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -526.306560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.306560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.306560 (E_RNA)
where:
Base-Base interactions energy: -324.710
where: short stacking energy: -165.615
Base-Backbone interact. energy: 2.801
local terms energy: -204.397275
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -42.213
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -26.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -502.100166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.100166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.100166 (E_RNA)
where:
Base-Base interactions energy: -319.584
where: short stacking energy: -144.252
Base-Backbone interact. energy: -1.103
local terms energy: -181.413155
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -463.699881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.699881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.699881 (E_RNA)
where:
Base-Base interactions energy: -280.755
where: short stacking energy: -135.659
Base-Backbone interact. energy: -1.076
local terms energy: -181.869099
where:
bonds (distance) C4'-P energy: -48.161
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -243.044882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.044882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.044882 (E_RNA)
where:
Base-Base interactions energy: -92.465
where: short stacking energy: -63.682
Base-Backbone interact. energy: -0.664
local terms energy: -149.915273
where:
bonds (distance) C4'-P energy: -57.248
bonds (distance) P-C4' energy: -46.994
flat angles C4'-P-C4' energy: -35.771
flat angles P-C4'-P energy: -24.732
tors. eta vs tors. theta energy: 14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -943.443100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.443100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.443100 (E_RNA)
where:
Base-Base interactions energy: -630.619
where: short stacking energy: -287.182
Base-Backbone interact. energy: 0.920
local terms energy: -313.744266
where:
bonds (distance) C4'-P energy: -58.071
bonds (distance) P-C4' energy: -62.969
flat angles C4'-P-C4' energy: -65.335
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -85.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -925.587069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.587069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.587069 (E_RNA)
where:
Base-Base interactions energy: -640.121
where: short stacking energy: -294.548
Base-Backbone interact. energy: 1.088
local terms energy: -286.554322
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -57.410
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -88.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -887.733061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.733061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.733061 (E_RNA)
where:
Base-Base interactions energy: -586.863
where: short stacking energy: -269.649
Base-Backbone interact. energy: -0.701
local terms energy: -300.168945
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -89.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -819.237293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.237293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.237293 (E_RNA)
where:
Base-Base interactions energy: -556.350
where: short stacking energy: -253.849
Base-Backbone interact. energy: -2.471
local terms energy: -260.416313
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -54.530
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -69.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -843.583751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.583751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.583751 (E_RNA)
where:
Base-Base interactions energy: -570.224
where: short stacking energy: -256.744
Base-Backbone interact. energy: -3.165
local terms energy: -270.194474
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -52.687
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -73.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -779.781619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.781619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.781619 (E_RNA)
where:
Base-Base interactions energy: -533.601
where: short stacking energy: -232.294
Base-Backbone interact. energy: -1.998
local terms energy: -244.182712
where:
bonds (distance) C4'-P energy: -38.652
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -59.049
flat angles P-C4'-P energy: -32.308
tors. eta vs tors. theta energy: -69.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -486.112512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.112512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.112512 (E_RNA)
where:
Base-Base interactions energy: -291.738
where: short stacking energy: -132.162
Base-Backbone interact. energy: -0.791
local terms energy: -193.583355
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -49.441
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -508.557979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.557979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.557979 (E_RNA)
where:
Base-Base interactions energy: -310.684
where: short stacking energy: -146.434
Base-Backbone interact. energy: -1.612
local terms energy: -196.261814
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -465.349036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.349036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.349036 (E_RNA)
where:
Base-Base interactions energy: -281.385
where: short stacking energy: -141.073
Base-Backbone interact. energy: -0.926
local terms energy: -183.037758
where:
bonds (distance) C4'-P energy: -45.310
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -47.316
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -27.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -245.402768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.402768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.402768 (E_RNA)
where:
Base-Base interactions energy: -83.569
where: short stacking energy: -74.822
Base-Backbone interact. energy: -0.827
local terms energy: -161.006647
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -938.730470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.730470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.730470 (E_RNA)
where:
Base-Base interactions energy: -636.308
where: short stacking energy: -294.431
Base-Backbone interact. energy: -1.734
local terms energy: -300.688479
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -54.771
flat angles C4'-P-C4' energy: -64.559
flat angles P-C4'-P energy: -36.201
tors. eta vs tors. theta energy: -89.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -927.992918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.992918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.992918 (E_RNA)
where:
Base-Base interactions energy: -623.223
where: short stacking energy: -275.837
Base-Backbone interact. energy: -0.577
local terms energy: -304.193676
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -54.044
flat angles C4'-P-C4' energy: -56.569
flat angles P-C4'-P energy: -50.142
tors. eta vs tors. theta energy: -89.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -875.099493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.099493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.099493 (E_RNA)
where:
Base-Base interactions energy: -580.906
where: short stacking energy: -268.566
Base-Backbone interact. energy: -1.207
local terms energy: -292.986385
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -52.966
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -85.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -861.507373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.507373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.507373 (E_RNA)
where:
Base-Base interactions energy: -580.020
where: short stacking energy: -275.676
Base-Backbone interact. energy: -0.977
local terms energy: -280.510209
where:
bonds (distance) C4'-P energy: -58.792
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -66.564
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -76.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -786.780363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.780363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.780363 (E_RNA)
where:
Base-Base interactions energy: -523.935
where: short stacking energy: -245.998
Base-Backbone interact. energy: -0.346
local terms energy: -262.499522
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -63.915
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -68.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -784.118345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.118345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.118345 (E_RNA)
where:
Base-Base interactions energy: -508.815
where: short stacking energy: -241.163
Base-Backbone interact. energy: 1.607
local terms energy: -276.910209
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -46.635
tors. eta vs tors. theta energy: -67.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -518.538325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.538325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.538325 (E_RNA)
where:
Base-Base interactions energy: -298.799
where: short stacking energy: -150.252
Base-Backbone interact. energy: -0.244
local terms energy: -219.495288
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -49.517
flat angles P-C4'-P energy: -37.353
tors. eta vs tors. theta energy: -28.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -453.178340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.178340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.178340 (E_RNA)
where:
Base-Base interactions energy: -253.909
where: short stacking energy: -146.562
Base-Backbone interact. energy: -1.350
local terms energy: -197.919190
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -33.085
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -504.781550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.781550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.781550 (E_RNA)
where:
Base-Base interactions energy: -323.215
where: short stacking energy: -154.286
Base-Backbone interact. energy: 0.333
local terms energy: -181.899899
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -44.319
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -240.592347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.592347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.592347 (E_RNA)
where:
Base-Base interactions energy: -94.784
where: short stacking energy: -87.813
Base-Backbone interact. energy: 0.896
local terms energy: -146.704455
where:
bonds (distance) C4'-P energy: -38.557
bonds (distance) P-C4' energy: -36.490
flat angles C4'-P-C4' energy: -42.845
flat angles P-C4'-P energy: -30.664
tors. eta vs tors. theta energy: 1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -919.357107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.357107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.357107 (E_RNA)
where:
Base-Base interactions energy: -617.237
where: short stacking energy: -284.067
Base-Backbone interact. energy: -1.702
local terms energy: -300.418071
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -62.546
flat angles C4'-P-C4' energy: -62.170
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -82.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -942.479424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.479424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.479424 (E_RNA)
where:
Base-Base interactions energy: -630.387
where: short stacking energy: -267.413
Base-Backbone interact. energy: -1.929
local terms energy: -310.163534
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -56.585
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -47.272
tors. eta vs tors. theta energy: -86.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -893.581274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.581274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.581274 (E_RNA)
where:
Base-Base interactions energy: -591.282
where: short stacking energy: -279.014
Base-Backbone interact. energy: -0.393
local terms energy: -301.906808
where:
bonds (distance) C4'-P energy: -43.905
bonds (distance) P-C4' energy: -65.853
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -89.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -855.076705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.076705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.076705 (E_RNA)
where:
Base-Base interactions energy: -585.896
where: short stacking energy: -254.627
Base-Backbone interact. energy: -0.142
local terms energy: -269.038694
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -69.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -816.341084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.341084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.341084 (E_RNA)
where:
Base-Base interactions energy: -544.418
where: short stacking energy: -243.800
Base-Backbone interact. energy: 0.525
local terms energy: -272.447304
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -77.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -750.457335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.457335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.457335 (E_RNA)
where:
Base-Base interactions energy: -518.967
where: short stacking energy: -208.748
Base-Backbone interact. energy: -1.417
local terms energy: -230.073826
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -52.623
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -547.918049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.918049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.918049 (E_RNA)
where:
Base-Base interactions energy: -347.308
where: short stacking energy: -176.304
Base-Backbone interact. energy: -0.517
local terms energy: -200.092635
where:
bonds (distance) C4'-P energy: -48.536
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -36.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -469.835409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.835409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.835409 (E_RNA)
where:
Base-Base interactions energy: -273.573
where: short stacking energy: -141.623
Base-Backbone interact. energy: -0.668
local terms energy: -195.594700
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -47.480
flat angles C4'-P-C4' energy: -35.521
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: -27.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -494.963220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.963220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.963220 (E_RNA)
where:
Base-Base interactions energy: -319.608
where: short stacking energy: -165.812
Base-Backbone interact. energy: -1.367
local terms energy: -173.988337
where:
bonds (distance) C4'-P energy: -39.104
bonds (distance) P-C4' energy: -46.618
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -233.363187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.363187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.363187 (E_RNA)
where:
Base-Base interactions energy: -88.690
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.978
local terms energy: -143.695402
where:
bonds (distance) C4'-P energy: -48.104
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -38.779
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: 14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -930.956680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.956680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.956680 (E_RNA)
where:
Base-Base interactions energy: -643.239
where: short stacking energy: -281.747
Base-Backbone interact. energy: -1.200
local terms energy: -286.517675
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -56.853
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -89.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -933.443335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.443335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.443335 (E_RNA)
where:
Base-Base interactions energy: -613.228
where: short stacking energy: -287.801
Base-Backbone interact. energy: -1.803
local terms energy: -318.412330
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -46.039
tors. eta vs tors. theta energy: -92.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -891.029416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.029416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.029416 (E_RNA)
where:
Base-Base interactions energy: -593.903
where: short stacking energy: -265.394
Base-Backbone interact. energy: -1.433
local terms energy: -295.693226
where:
bonds (distance) C4'-P energy: -64.796
bonds (distance) P-C4' energy: -51.012
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -39.843
tors. eta vs tors. theta energy: -80.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -867.167147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.167147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.167147 (E_RNA)
where:
Base-Base interactions energy: -578.544
where: short stacking energy: -255.657
Base-Backbone interact. energy: -1.213
local terms energy: -287.410456
where:
bonds (distance) C4'-P energy: -40.855
bonds (distance) P-C4' energy: -59.588
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -43.935
tors. eta vs tors. theta energy: -85.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -805.691253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.691253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.691253 (E_RNA)
where:
Base-Base interactions energy: -538.057
where: short stacking energy: -247.213
Base-Backbone interact. energy: -1.448
local terms energy: -266.186520
where:
bonds (distance) C4'-P energy: -50.440
bonds (distance) P-C4' energy: -52.490
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -73.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -692.021239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.021239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.021239 (E_RNA)
where:
Base-Base interactions energy: -465.255
where: short stacking energy: -221.622
Base-Backbone interact. energy: -2.043
local terms energy: -224.723909
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -40.849
flat angles C4'-P-C4' energy: -54.677
flat angles P-C4'-P energy: -33.465
tors. eta vs tors. theta energy: -56.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -505.428852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.428852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.428852 (E_RNA)
where:
Base-Base interactions energy: -300.582
where: short stacking energy: -157.225
Base-Backbone interact. energy: -2.527
local terms energy: -202.319695
where:
bonds (distance) C4'-P energy: -44.659
bonds (distance) P-C4' energy: -52.398
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -29.295
tors. eta vs tors. theta energy: -21.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -500.664138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.664138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.664138 (E_RNA)
where:
Base-Base interactions energy: -287.503
where: short stacking energy: -145.504
Base-Backbone interact. energy: 0.728
local terms energy: -213.889102
where:
bonds (distance) C4'-P energy: -48.186
bonds (distance) P-C4' energy: -54.597
flat angles C4'-P-C4' energy: -42.999
flat angles P-C4'-P energy: -35.149
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -470.499355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.499355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.499355 (E_RNA)
where:
Base-Base interactions energy: -278.246
where: short stacking energy: -141.747
Base-Backbone interact. energy: -2.451
local terms energy: -189.802388
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -47.925
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -255.567916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.567916 (E_RNA)
where:
Base-Base interactions energy: -101.301
where: short stacking energy: -70.579
Base-Backbone interact. energy: -1.194
local terms energy: -153.072573
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -38.080
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: 8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -943.821001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.821001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.821001 (E_RNA)
where:
Base-Base interactions energy: -646.865
where: short stacking energy: -300.551
Base-Backbone interact. energy: 0.161
local terms energy: -297.116322
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -55.922
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -92.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -902.963372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.963372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.963372 (E_RNA)
where:
Base-Base interactions energy: -630.206
where: short stacking energy: -265.026
Base-Backbone interact. energy: -0.596
local terms energy: -272.161320
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -55.471
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -75.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -899.601468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.601468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.601468 (E_RNA)
where:
Base-Base interactions energy: -604.218
where: short stacking energy: -281.986
Base-Backbone interact. energy: -0.512
local terms energy: -294.871149
where:
bonds (distance) C4'-P energy: -56.925
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -77.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -839.017461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.017461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.017461 (E_RNA)
where:
Base-Base interactions energy: -567.894
where: short stacking energy: -250.719
Base-Backbone interact. energy: -1.865
local terms energy: -269.259104
where:
bonds (distance) C4'-P energy: -43.849
bonds (distance) P-C4' energy: -59.679
flat angles C4'-P-C4' energy: -58.242
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -70.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -811.266699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.266699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.266699 (E_RNA)
where:
Base-Base interactions energy: -556.311
where: short stacking energy: -226.126
Base-Backbone interact. energy: -1.515
local terms energy: -253.440384
where:
bonds (distance) C4'-P energy: -45.208
bonds (distance) P-C4' energy: -58.061
flat angles C4'-P-C4' energy: -51.438
flat angles P-C4'-P energy: -37.526
tors. eta vs tors. theta energy: -61.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -727.115068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.115068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.115068 (E_RNA)
where:
Base-Base interactions energy: -475.688
where: short stacking energy: -219.876
Base-Backbone interact. energy: -0.753
local terms energy: -250.674052
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -47.062
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -42.546
tors. eta vs tors. theta energy: -61.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -539.660222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.660222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.660222 (E_RNA)
where:
Base-Base interactions energy: -330.561
where: short stacking energy: -175.160
Base-Backbone interact. energy: 1.830
local terms energy: -210.929301
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -52.223
flat angles C4'-P-C4' energy: -56.401
flat angles P-C4'-P energy: -33.745
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -479.902830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.902830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.902830 (E_RNA)
where:
Base-Base interactions energy: -303.443
where: short stacking energy: -138.967
Base-Backbone interact. energy: -2.431
local terms energy: -174.028551
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -46.401
flat angles C4'-P-C4' energy: -41.652
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -468.885488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.885488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.885488 (E_RNA)
where:
Base-Base interactions energy: -281.690
where: short stacking energy: -140.026
Base-Backbone interact. energy: 7.020
local terms energy: -194.215843
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -45.434
flat angles C4'-P-C4' energy: -43.344
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -26.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -249.711367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.711367 (E_RNA)
where:
Base-Base interactions energy: -84.546
where: short stacking energy: -70.721
Base-Backbone interact. energy: -0.576
local terms energy: -164.589550
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -45.258
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -940.894709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.894709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.894709 (E_RNA)
where:
Base-Base interactions energy: -648.874
where: short stacking energy: -283.909
Base-Backbone interact. energy: -0.805
local terms energy: -291.215213
where:
bonds (distance) C4'-P energy: -54.611
bonds (distance) P-C4' energy: -60.389
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -87.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -912.116591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.116591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.116591 (E_RNA)
where:
Base-Base interactions energy: -606.893
where: short stacking energy: -271.259
Base-Backbone interact. energy: -1.448
local terms energy: -303.775117
where:
bonds (distance) C4'-P energy: -63.275
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -60.369
flat angles P-C4'-P energy: -47.696
tors. eta vs tors. theta energy: -78.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -888.866712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.866712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.866712 (E_RNA)
where:
Base-Base interactions energy: -600.125
where: short stacking energy: -248.127
Base-Backbone interact. energy: -1.000
local terms energy: -287.741841
where:
bonds (distance) C4'-P energy: -58.322
bonds (distance) P-C4' energy: -49.710
flat angles C4'-P-C4' energy: -62.070
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -73.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -840.743334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.743334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.743334 (E_RNA)
where:
Base-Base interactions energy: -563.625
where: short stacking energy: -245.745
Base-Backbone interact. energy: -1.354
local terms energy: -275.764873
where:
bonds (distance) C4'-P energy: -48.884
bonds (distance) P-C4' energy: -53.595
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -71.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -799.990090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.990090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.990090 (E_RNA)
where:
Base-Base interactions energy: -562.643
where: short stacking energy: -233.482
Base-Backbone interact. energy: -3.247
local terms energy: -234.099895
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -54.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -725.147833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.147833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.147833 (E_RNA)
where:
Base-Base interactions energy: -481.746
where: short stacking energy: -204.162
Base-Backbone interact. energy: -2.001
local terms energy: -241.400529
where:
bonds (distance) C4'-P energy: -45.598
bonds (distance) P-C4' energy: -51.820
flat angles C4'-P-C4' energy: -53.688
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -52.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -540.583761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.583761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.583761 (E_RNA)
where:
Base-Base interactions energy: -336.350
where: short stacking energy: -160.913
Base-Backbone interact. energy: 0.770
local terms energy: -205.003470
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -37.542
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -499.503230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.503230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.503230 (E_RNA)
where:
Base-Base interactions energy: -303.133
where: short stacking energy: -154.646
Base-Backbone interact. energy: -0.756
local terms energy: -195.614438
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -47.778
flat angles P-C4'-P energy: -25.141
tors. eta vs tors. theta energy: -40.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -436.226632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.226632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.226632 (E_RNA)
where:
Base-Base interactions energy: -241.507
where: short stacking energy: -127.027
Base-Backbone interact. energy: -0.267
local terms energy: -194.451831
where:
bonds (distance) C4'-P energy: -56.173
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -52.795
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -240.857872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.857872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.857872 (E_RNA)
where:
Base-Base interactions energy: -73.830
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.291
local terms energy: -166.737067
where:
bonds (distance) C4'-P energy: -48.944
bonds (distance) P-C4' energy: -52.510
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -964.144177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.144177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.144177 (E_RNA)
where:
Base-Base interactions energy: -650.257
where: short stacking energy: -286.280
Base-Backbone interact. energy: -0.960
local terms energy: -312.927396
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -58.511
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -42.268
tors. eta vs tors. theta energy: -94.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -887.043871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.043871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.043871 (E_RNA)
where:
Base-Base interactions energy: -603.451
where: short stacking energy: -271.167
Base-Backbone interact. energy: -0.441
local terms energy: -283.151962
where:
bonds (distance) C4'-P energy: -53.922
bonds (distance) P-C4' energy: -55.081
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -82.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -876.486990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.486990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.486990 (E_RNA)
where:
Base-Base interactions energy: -593.416
where: short stacking energy: -249.210
Base-Backbone interact. energy: -1.945
local terms energy: -281.125670
where:
bonds (distance) C4'-P energy: -58.602
bonds (distance) P-C4' energy: -48.709
flat angles C4'-P-C4' energy: -64.994
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -71.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -832.420512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.420512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.420512 (E_RNA)
where:
Base-Base interactions energy: -575.027
where: short stacking energy: -246.709
Base-Backbone interact. energy: -2.114
local terms energy: -255.279554
where:
bonds (distance) C4'-P energy: -51.208
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -56.452
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: -73.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -802.948242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.948242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.948242 (E_RNA)
where:
Base-Base interactions energy: -554.638
where: short stacking energy: -248.250
Base-Backbone interact. energy: 1.600
local terms energy: -249.910149
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -45.466
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: -76.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -651.161396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.161396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.161396 (E_RNA)
where:
Base-Base interactions energy: -441.424
where: short stacking energy: -185.648
Base-Backbone interact. energy: -1.256
local terms energy: -208.481166
where:
bonds (distance) C4'-P energy: -37.916
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -39.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -554.716351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.716351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.716351 (E_RNA)
where:
Base-Base interactions energy: -345.757
where: short stacking energy: -187.508
Base-Backbone interact. energy: -0.114
local terms energy: -208.845442
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -36.618
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -40.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -492.746008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.746008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.746008 (E_RNA)
where:
Base-Base interactions energy: -309.331
where: short stacking energy: -145.704
Base-Backbone interact. energy: 1.098
local terms energy: -184.513233
where:
bonds (distance) C4'-P energy: -31.222
bonds (distance) P-C4' energy: -57.246
flat angles C4'-P-C4' energy: -47.514
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -401.772821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.772821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.772821 (E_RNA)
where:
Base-Base interactions energy: -230.106
where: short stacking energy: -133.601
Base-Backbone interact. energy: -0.384
local terms energy: -171.282543
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -49.597
flat angles C4'-P-C4' energy: -46.632
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -259.553342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.553342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.553342 (E_RNA)
where:
Base-Base interactions energy: -99.605
where: short stacking energy: -94.810
Base-Backbone interact. energy: -0.411
local terms energy: -159.537371
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -48.245
flat angles C4'-P-C4' energy: -40.574
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -962.002882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.002882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.002882 (E_RNA)
where:
Base-Base interactions energy: -651.782
where: short stacking energy: -300.993
Base-Backbone interact. energy: 1.298
local terms energy: -311.518747
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -54.208
flat angles C4'-P-C4' energy: -65.459
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -94.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -913.165725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.165725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.165725 (E_RNA)
where:
Base-Base interactions energy: -619.106
where: short stacking energy: -283.503
Base-Backbone interact. energy: -0.141
local terms energy: -293.918553
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -81.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -894.800043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.800043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.800043 (E_RNA)
where:
Base-Base interactions energy: -605.234
where: short stacking energy: -277.835
Base-Backbone interact. energy: -0.678
local terms energy: -288.888515
where:
bonds (distance) C4'-P energy: -57.547
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -63.764
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -76.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -848.209243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.209243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.209243 (E_RNA)
where:
Base-Base interactions energy: -568.569
where: short stacking energy: -267.442
Base-Backbone interact. energy: -0.564
local terms energy: -279.076349
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -39.574
tors. eta vs tors. theta energy: -77.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -807.115576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.115576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.115576 (E_RNA)
where:
Base-Base interactions energy: -550.615
where: short stacking energy: -235.647
Base-Backbone interact. energy: -0.436
local terms energy: -256.063893
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -58.104
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -70.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -700.550365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.550365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.550365 (E_RNA)
where:
Base-Base interactions energy: -460.160
where: short stacking energy: -210.429
Base-Backbone interact. energy: -1.118
local terms energy: -239.272999
where:
bonds (distance) C4'-P energy: -41.034
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -56.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -533.444684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.444684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.444684 (E_RNA)
where:
Base-Base interactions energy: -339.516
where: short stacking energy: -186.213
Base-Backbone interact. energy: -0.931
local terms energy: -192.997619
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -41.764
flat angles C4'-P-C4' energy: -43.987
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: -36.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -493.051093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.051093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.051093 (E_RNA)
where:
Base-Base interactions energy: -288.083
where: short stacking energy: -147.094
Base-Backbone interact. energy: 0.317
local terms energy: -205.285593
where:
bonds (distance) C4'-P energy: -52.884
bonds (distance) P-C4' energy: -51.468
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -380.852942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.852942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.852942 (E_RNA)
where:
Base-Base interactions energy: -183.273
where: short stacking energy: -91.649
Base-Backbone interact. energy: -0.763
local terms energy: -196.817228
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -49.220
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -237.619038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.619038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.619038 (E_RNA)
where:
Base-Base interactions energy: -80.997
where: short stacking energy: -57.227
Base-Backbone interact. energy: 0.328
local terms energy: -156.950236
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -57.736
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: 9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -970.152482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.152482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.152482 (E_RNA)
where:
Base-Base interactions energy: -661.650
where: short stacking energy: -285.224
Base-Backbone interact. energy: -0.976
local terms energy: -307.526211
where:
bonds (distance) C4'-P energy: -53.033
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -61.185
flat angles P-C4'-P energy: -45.389
tors. eta vs tors. theta energy: -93.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -924.369802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.369802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.369802 (E_RNA)
where:
Base-Base interactions energy: -614.866
where: short stacking energy: -275.373
Base-Backbone interact. energy: -0.712
local terms energy: -308.791217
where:
bonds (distance) C4'-P energy: -54.810
bonds (distance) P-C4' energy: -59.894
flat angles C4'-P-C4' energy: -68.666
flat angles P-C4'-P energy: -42.485
tors. eta vs tors. theta energy: -82.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -901.546646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.546646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.546646 (E_RNA)
where:
Base-Base interactions energy: -607.180
where: short stacking energy: -267.923
Base-Backbone interact. energy: -1.195
local terms energy: -293.171698
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -52.397
flat angles C4'-P-C4' energy: -60.096
flat angles P-C4'-P energy: -47.457
tors. eta vs tors. theta energy: -77.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -861.500686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.500686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.500686 (E_RNA)
where:
Base-Base interactions energy: -564.401
where: short stacking energy: -250.190
Base-Backbone interact. energy: -0.627
local terms energy: -296.472766
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -39.269
tors. eta vs tors. theta energy: -79.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -825.188765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.188765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.188765 (E_RNA)
where:
Base-Base interactions energy: -571.961
where: short stacking energy: -245.079
Base-Backbone interact. energy: -1.182
local terms energy: -252.045410
where:
bonds (distance) C4'-P energy: -43.178
bonds (distance) P-C4' energy: -51.229
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -68.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -678.939912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.939912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.939912 (E_RNA)
where:
Base-Base interactions energy: -449.195
where: short stacking energy: -200.446
Base-Backbone interact. energy: -1.276
local terms energy: -228.469660
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -52.049
flat angles C4'-P-C4' energy: -52.479
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: -54.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -509.702436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.702436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.702436 (E_RNA)
where:
Base-Base interactions energy: -295.948
where: short stacking energy: -155.526
Base-Backbone interact. energy: -1.617
local terms energy: -212.137014
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -44.124
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -36.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -498.461710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.461710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.461710 (E_RNA)
where:
Base-Base interactions energy: -288.734
where: short stacking energy: -140.543
Base-Backbone interact. energy: 0.619
local terms energy: -210.346389
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -24.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -380.410373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.410373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.410373 (E_RNA)
where:
Base-Base interactions energy: -196.569
where: short stacking energy: -107.593
Base-Backbone interact. energy: 2.573
local terms energy: -186.414524
where:
bonds (distance) C4'-P energy: -43.973
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -26.174
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -249.103650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.103650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.103650 (E_RNA)
where:
Base-Base interactions energy: -71.355
where: short stacking energy: -65.292
Base-Backbone interact. energy: -0.540
local terms energy: -177.209081
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -44.068
flat angles C4'-P-C4' energy: -48.580
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -956.165080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.165080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.165080 (E_RNA)
where:
Base-Base interactions energy: -650.105
where: short stacking energy: -276.699
Base-Backbone interact. energy: -2.436
local terms energy: -303.623740
where:
bonds (distance) C4'-P energy: -51.898
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -88.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -928.090539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.090539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.090539 (E_RNA)
where:
Base-Base interactions energy: -624.062
where: short stacking energy: -299.006
Base-Backbone interact. energy: 1.006
local terms energy: -305.034501
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -59.359
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -85.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -865.610112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.610112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.610112 (E_RNA)
where:
Base-Base interactions energy: -585.897
where: short stacking energy: -266.676
Base-Backbone interact. energy: -2.238
local terms energy: -277.475510
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -48.638
flat angles C4'-P-C4' energy: -55.422
flat angles P-C4'-P energy: -36.026
tors. eta vs tors. theta energy: -77.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -851.138844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.138844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.138844 (E_RNA)
where:
Base-Base interactions energy: -566.674
where: short stacking energy: -252.785
Base-Backbone interact. energy: 1.143
local terms energy: -285.608308
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -54.875
flat angles C4'-P-C4' energy: -61.451
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -79.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -810.034823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.034823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.034823 (E_RNA)
where:
Base-Base interactions energy: -561.224
where: short stacking energy: -240.742
Base-Backbone interact. energy: -0.629
local terms energy: -248.181415
where:
bonds (distance) C4'-P energy: -49.174
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -67.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -692.314818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.314818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.314818 (E_RNA)
where:
Base-Base interactions energy: -447.224
where: short stacking energy: -203.843
Base-Backbone interact. energy: -1.083
local terms energy: -244.008114
where:
bonds (distance) C4'-P energy: -49.855
bonds (distance) P-C4' energy: -51.697
flat angles C4'-P-C4' energy: -59.936
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: -49.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -490.224790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.224790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.224790 (E_RNA)
where:
Base-Base interactions energy: -285.816
where: short stacking energy: -145.042
Base-Backbone interact. energy: -1.590
local terms energy: -202.819302
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -45.136
flat angles C4'-P-C4' energy: -52.309
flat angles P-C4'-P energy: -27.425
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -572.728657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.728657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.728657 (E_RNA)
where:
Base-Base interactions energy: -352.332
where: short stacking energy: -158.468
Base-Backbone interact. energy: -1.073
local terms energy: -219.323398
where:
bonds (distance) C4'-P energy: -51.191
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -52.490
flat angles P-C4'-P energy: -28.796
tors. eta vs tors. theta energy: -32.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -369.109845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.109845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.109845 (E_RNA)
where:
Base-Base interactions energy: -205.365
where: short stacking energy: -113.812
Base-Backbone interact. energy: -0.333
local terms energy: -163.411710
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -47.144
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -281.272323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.272323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.272323 (E_RNA)
where:
Base-Base interactions energy: -116.548
where: short stacking energy: -106.819
Base-Backbone interact. energy: -1.044
local terms energy: -163.680180
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -54.241
flat angles C4'-P-C4' energy: -47.406
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -971.263836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.263836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.263836 (E_RNA)
where:
Base-Base interactions energy: -659.945
where: short stacking energy: -293.265
Base-Backbone interact. energy: -2.472
local terms energy: -308.847549
where:
bonds (distance) C4'-P energy: -46.472
bonds (distance) P-C4' energy: -63.311
flat angles C4'-P-C4' energy: -68.144
flat angles P-C4'-P energy: -38.182
tors. eta vs tors. theta energy: -92.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -919.241478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.241478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.241478 (E_RNA)
where:
Base-Base interactions energy: -628.283
where: short stacking energy: -281.587
Base-Backbone interact. energy: 0.101
local terms energy: -291.060243
where:
bonds (distance) C4'-P energy: -57.214
bonds (distance) P-C4' energy: -55.890
flat angles C4'-P-C4' energy: -53.591
flat angles P-C4'-P energy: -37.034
tors. eta vs tors. theta energy: -87.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -856.827699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.827699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.827699 (E_RNA)
where:
Base-Base interactions energy: -579.840
where: short stacking energy: -264.116
Base-Backbone interact. energy: -1.178
local terms energy: -275.809415
where:
bonds (distance) C4'-P energy: -49.656
bonds (distance) P-C4' energy: -61.835
flat angles C4'-P-C4' energy: -54.999
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -71.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -832.183181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.183181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.183181 (E_RNA)
where:
Base-Base interactions energy: -570.094
where: short stacking energy: -250.228
Base-Backbone interact. energy: 1.685
local terms energy: -263.774922
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -46.144
flat angles C4'-P-C4' energy: -53.333
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -71.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -809.009666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.009666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.009666 (E_RNA)
where:
Base-Base interactions energy: -538.979
where: short stacking energy: -241.739
Base-Backbone interact. energy: -1.955
local terms energy: -268.076165
where:
bonds (distance) C4'-P energy: -47.638
bonds (distance) P-C4' energy: -60.865
flat angles C4'-P-C4' energy: -54.948
flat angles P-C4'-P energy: -32.691
tors. eta vs tors. theta energy: -71.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -723.163179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.163179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.163179 (E_RNA)
where:
Base-Base interactions energy: -476.722
where: short stacking energy: -207.731
Base-Backbone interact. energy: 2.345
local terms energy: -248.785781
where:
bonds (distance) C4'-P energy: -59.324
bonds (distance) P-C4' energy: -49.263
flat angles C4'-P-C4' energy: -59.121
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -53.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -571.945743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.945743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.945743 (E_RNA)
where:
Base-Base interactions energy: -368.972
where: short stacking energy: -174.242
Base-Backbone interact. energy: 0.089
local terms energy: -203.062765
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -39.495
tors. eta vs tors. theta energy: -36.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -492.058324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.058324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.058324 (E_RNA)
where:
Base-Base interactions energy: -298.058
where: short stacking energy: -150.653
Base-Backbone interact. energy: 0.355
local terms energy: -194.355245
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -40.590
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -345.913443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.913443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.913443 (E_RNA)
where:
Base-Base interactions energy: -176.031
where: short stacking energy: -100.507
Base-Backbone interact. energy: -0.193
local terms energy: -169.688887
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -44.905
flat angles C4'-P-C4' energy: -49.836
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -238.426819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.426819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.426819 (E_RNA)
where:
Base-Base interactions energy: -88.727
where: short stacking energy: -82.414
Base-Backbone interact. energy: -1.069
local terms energy: -148.630732
where:
bonds (distance) C4'-P energy: -47.541
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -45.146
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: 6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -956.011056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.011056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.011056 (E_RNA)
where:
Base-Base interactions energy: -652.651
where: short stacking energy: -277.135
Base-Backbone interact. energy: -1.148
local terms energy: -302.211438
where:
bonds (distance) C4'-P energy: -54.614
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -60.062
flat angles P-C4'-P energy: -49.952
tors. eta vs tors. theta energy: -85.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -910.311599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.311599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.311599 (E_RNA)
where:
Base-Base interactions energy: -611.124
where: short stacking energy: -272.585
Base-Backbone interact. energy: -1.244
local terms energy: -297.944024
where:
bonds (distance) C4'-P energy: -65.566
bonds (distance) P-C4' energy: -55.387
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -80.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -884.856361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.856361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.856361 (E_RNA)
where:
Base-Base interactions energy: -601.680
where: short stacking energy: -278.050
Base-Backbone interact. energy: 2.254
local terms energy: -285.429623
where:
bonds (distance) C4'-P energy: -57.176
bonds (distance) P-C4' energy: -55.279
flat angles C4'-P-C4' energy: -53.903
flat angles P-C4'-P energy: -37.034
tors. eta vs tors. theta energy: -82.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -847.936505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.936505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.936505 (E_RNA)
where:
Base-Base interactions energy: -569.182
where: short stacking energy: -271.619
Base-Backbone interact. energy: -0.421
local terms energy: -278.333861
where:
bonds (distance) C4'-P energy: -56.680
bonds (distance) P-C4' energy: -45.918
flat angles C4'-P-C4' energy: -58.567
flat angles P-C4'-P energy: -40.924
tors. eta vs tors. theta energy: -76.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -839.379040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.379040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.379040 (E_RNA)
where:
Base-Base interactions energy: -555.723
where: short stacking energy: -236.575
Base-Backbone interact. energy: -2.625
local terms energy: -281.031420
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -60.963
flat angles C4'-P-C4' energy: -67.049
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -71.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -694.566272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.566272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.566272 (E_RNA)
where:
Base-Base interactions energy: -454.325
where: short stacking energy: -197.411
Base-Backbone interact. energy: -0.322
local terms energy: -239.918714
where:
bonds (distance) C4'-P energy: -54.893
bonds (distance) P-C4' energy: -46.098
flat angles C4'-P-C4' energy: -60.000
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -51.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -544.552466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.552466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.552466 (E_RNA)
where:
Base-Base interactions energy: -339.660
where: short stacking energy: -156.114
Base-Backbone interact. energy: -1.975
local terms energy: -202.918016
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -30.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -485.770151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.770151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.770151 (E_RNA)
where:
Base-Base interactions energy: -307.677
where: short stacking energy: -150.932
Base-Backbone interact. energy: 1.409
local terms energy: -179.501900
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -43.201
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -346.067796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.067796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.067796 (E_RNA)
where:
Base-Base interactions energy: -191.736
where: short stacking energy: -114.178
Base-Backbone interact. energy: 2.648
local terms energy: -156.979119
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -58.081
flat angles C4'-P-C4' energy: -31.413
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -232.024754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.024754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.024754 (E_RNA)
where:
Base-Base interactions energy: -84.643
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.446
local terms energy: -146.935986
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -51.789
flat angles C4'-P-C4' energy: -44.568
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: 6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -952.794464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.794464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.794464 (E_RNA)
where:
Base-Base interactions energy: -643.791
where: short stacking energy: -285.288
Base-Backbone interact. energy: -1.189
local terms energy: -307.814602
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -61.203
flat angles C4'-P-C4' energy: -66.614
flat angles P-C4'-P energy: -46.290
tors. eta vs tors. theta energy: -87.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -920.436466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.436466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.436466 (E_RNA)
where:
Base-Base interactions energy: -612.603
where: short stacking energy: -280.155
Base-Backbone interact. energy: -1.169
local terms energy: -306.665085
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -57.357
flat angles C4'-P-C4' energy: -67.450
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -86.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -898.174534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.174534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.174534 (E_RNA)
where:
Base-Base interactions energy: -608.415
where: short stacking energy: -283.895
Base-Backbone interact. energy: -0.922
local terms energy: -288.837608
where:
bonds (distance) C4'-P energy: -55.247
bonds (distance) P-C4' energy: -56.583
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -80.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -834.272505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.272505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.272505 (E_RNA)
where:
Base-Base interactions energy: -541.409
where: short stacking energy: -251.955
Base-Backbone interact. energy: -2.287
local terms energy: -290.576298
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -58.165
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -70.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -832.118141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.118141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.118141 (E_RNA)
where:
Base-Base interactions energy: -561.135
where: short stacking energy: -241.676
Base-Backbone interact. energy: -0.947
local terms energy: -270.036167
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -52.975
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: -68.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -677.684870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.684870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.684870 (E_RNA)
where:
Base-Base interactions energy: -430.843
where: short stacking energy: -214.053
Base-Backbone interact. energy: 1.354
local terms energy: -248.195864
where:
bonds (distance) C4'-P energy: -44.941
bonds (distance) P-C4' energy: -55.724
flat angles C4'-P-C4' energy: -55.479
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -62.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -523.538848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.538848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.538848 (E_RNA)
where:
Base-Base interactions energy: -318.107
where: short stacking energy: -163.194
Base-Backbone interact. energy: 3.247
local terms energy: -208.678707
where:
bonds (distance) C4'-P energy: -32.859
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -54.360
flat angles P-C4'-P energy: -35.288
tors. eta vs tors. theta energy: -35.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -457.307357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.307357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.307357 (E_RNA)
where:
Base-Base interactions energy: -269.837
where: short stacking energy: -117.995
Base-Backbone interact. energy: -0.865
local terms energy: -186.605153
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -349.225160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.225160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.225160 (E_RNA)
where:
Base-Base interactions energy: -164.175
where: short stacking energy: -101.458
Base-Backbone interact. energy: -1.076
local terms energy: -183.975065
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -50.355
flat angles C4'-P-C4' energy: -47.832
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -248.109891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.109891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.109891 (E_RNA)
where:
Base-Base interactions energy: -97.371
where: short stacking energy: -63.571
Base-Backbone interact. energy: -0.513
local terms energy: -150.225816
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -54.289
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -946.483823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.483823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.483823 (E_RNA)
where:
Base-Base interactions energy: -653.259
where: short stacking energy: -270.926
Base-Backbone interact. energy: -1.359
local terms energy: -291.865205
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -77.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -912.031616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.031616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.031616 (E_RNA)
where:
Base-Base interactions energy: -629.499
where: short stacking energy: -279.219
Base-Backbone interact. energy: 1.372
local terms energy: -283.905144
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -81.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -897.178123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.178123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.178123 (E_RNA)
where:
Base-Base interactions energy: -601.077
where: short stacking energy: -257.976
Base-Backbone interact. energy: -0.761
local terms energy: -295.340560
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -48.509
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -45.107
tors. eta vs tors. theta energy: -86.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -856.070077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.070077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.070077 (E_RNA)
where:
Base-Base interactions energy: -587.994
where: short stacking energy: -263.565
Base-Backbone interact. energy: 0.473
local terms energy: -268.548942
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -51.653
flat angles C4'-P-C4' energy: -63.497
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -78.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -815.527516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.527516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.527516 (E_RNA)
where:
Base-Base interactions energy: -556.343
where: short stacking energy: -251.410
Base-Backbone interact. energy: -1.082
local terms energy: -258.102512
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -57.260
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: -67.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -744.572075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.572075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.572075 (E_RNA)
where:
Base-Base interactions energy: -499.116
where: short stacking energy: -236.264
Base-Backbone interact. energy: 2.284
local terms energy: -247.739804
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -67.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -543.956195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.956195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.956195 (E_RNA)
where:
Base-Base interactions energy: -334.980
where: short stacking energy: -157.269
Base-Backbone interact. energy: -0.603
local terms energy: -208.372971
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -54.889
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -25.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -442.554409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.554409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.554409 (E_RNA)
where:
Base-Base interactions energy: -250.277
where: short stacking energy: -124.733
Base-Backbone interact. energy: 0.146
local terms energy: -192.423647
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -51.843
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -335.953804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.953804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.953804 (E_RNA)
where:
Base-Base interactions energy: -173.695
where: short stacking energy: -108.375
Base-Backbone interact. energy: -0.060
local terms energy: -162.199459
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -44.847
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -246.253761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.253761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.253761 (E_RNA)
where:
Base-Base interactions energy: -92.671
where: short stacking energy: -75.496
Base-Backbone interact. energy: -1.722
local terms energy: -151.861393
where:
bonds (distance) C4'-P energy: -38.326
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -48.449
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -934.300657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.300657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.300657 (E_RNA)
where:
Base-Base interactions energy: -622.135
where: short stacking energy: -281.432
Base-Backbone interact. energy: -1.960
local terms energy: -310.205745
where:
bonds (distance) C4'-P energy: -50.636
bonds (distance) P-C4' energy: -65.640
flat angles C4'-P-C4' energy: -64.525
flat angles P-C4'-P energy: -49.561
tors. eta vs tors. theta energy: -79.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -922.013450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.013450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.013450 (E_RNA)
where:
Base-Base interactions energy: -620.196
where: short stacking energy: -277.706
Base-Backbone interact. energy: 0.429
local terms energy: -302.246767
where:
bonds (distance) C4'-P energy: -55.183
bonds (distance) P-C4' energy: -59.588
flat angles C4'-P-C4' energy: -63.363
flat angles P-C4'-P energy: -43.697
tors. eta vs tors. theta energy: -80.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -898.770754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.770754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.770754 (E_RNA)
where:
Base-Base interactions energy: -601.792
where: short stacking energy: -272.219
Base-Backbone interact. energy: -1.089
local terms energy: -295.889477
where:
bonds (distance) C4'-P energy: -51.937
bonds (distance) P-C4' energy: -55.790
flat angles C4'-P-C4' energy: -66.699
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -80.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -842.150763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.150763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.150763 (E_RNA)
where:
Base-Base interactions energy: -576.736
where: short stacking energy: -258.972
Base-Backbone interact. energy: 1.618
local terms energy: -267.033253
where:
bonds (distance) C4'-P energy: -46.536
bonds (distance) P-C4' energy: -48.430
flat angles C4'-P-C4' energy: -59.939
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -73.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -832.394586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.394586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.394586 (E_RNA)
where:
Base-Base interactions energy: -573.527
where: short stacking energy: -246.246
Base-Backbone interact. energy: -1.583
local terms energy: -257.284576
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -53.636
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -68.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -736.001437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.001437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.001437 (E_RNA)
where:
Base-Base interactions energy: -467.876
where: short stacking energy: -225.749
Base-Backbone interact. energy: -1.342
local terms energy: -266.783632
where:
bonds (distance) C4'-P energy: -52.956
bonds (distance) P-C4' energy: -60.066
flat angles C4'-P-C4' energy: -57.367
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -61.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -542.481261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.481261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.481261 (E_RNA)
where:
Base-Base interactions energy: -311.178
where: short stacking energy: -157.055
Base-Backbone interact. energy: -1.731
local terms energy: -229.572370
where:
bonds (distance) C4'-P energy: -46.013
bonds (distance) P-C4' energy: -51.519
flat angles C4'-P-C4' energy: -49.607
flat angles P-C4'-P energy: -46.906
tors. eta vs tors. theta energy: -35.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -429.174628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.174628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.174628 (E_RNA)
where:
Base-Base interactions energy: -254.943
where: short stacking energy: -118.680
Base-Backbone interact. energy: 2.945
local terms energy: -177.176328
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -63.646
flat angles C4'-P-C4' energy: -35.240
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -363.736858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.736858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.736858 (E_RNA)
where:
Base-Base interactions energy: -187.780
where: short stacking energy: -115.866
Base-Backbone interact. energy: 2.824
local terms energy: -178.780874
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -47.773
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -235.866779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.866779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.866779 (E_RNA)
where:
Base-Base interactions energy: -78.003
where: short stacking energy: -70.834
Base-Backbone interact. energy: 0.280
local terms energy: -158.143794
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -941.352063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.352063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.352063 (E_RNA)
where:
Base-Base interactions energy: -635.286
where: short stacking energy: -287.134
Base-Backbone interact. energy: -2.762
local terms energy: -303.304034
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -66.304
flat angles P-C4'-P energy: -46.310
tors. eta vs tors. theta energy: -84.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -929.977766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.977766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.977766 (E_RNA)
where:
Base-Base interactions energy: -622.652
where: short stacking energy: -280.426
Base-Backbone interact. energy: 1.170
local terms energy: -308.496169
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -62.157
flat angles C4'-P-C4' energy: -65.126
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -91.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -876.879599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.879599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.879599 (E_RNA)
where:
Base-Base interactions energy: -595.562
where: short stacking energy: -263.145
Base-Backbone interact. energy: -1.513
local terms energy: -279.805247
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -55.659
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -85.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -839.777921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.777921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.777921 (E_RNA)
where:
Base-Base interactions energy: -561.866
where: short stacking energy: -242.318
Base-Backbone interact. energy: -1.010
local terms energy: -276.902277
where:
bonds (distance) C4'-P energy: -43.857
bonds (distance) P-C4' energy: -61.821
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -76.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -842.620756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.620756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.620756 (E_RNA)
where:
Base-Base interactions energy: -581.398
where: short stacking energy: -261.081
Base-Backbone interact. energy: -0.520
local terms energy: -260.702260
where:
bonds (distance) C4'-P energy: -42.837
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -55.270
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -84.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -710.383466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.383466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.383466 (E_RNA)
where:
Base-Base interactions energy: -462.137
where: short stacking energy: -225.818
Base-Backbone interact. energy: 0.172
local terms energy: -248.418528
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -63.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -487.531748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.531748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.531748 (E_RNA)
where:
Base-Base interactions energy: -297.646
where: short stacking energy: -154.056
Base-Backbone interact. energy: 0.034
local terms energy: -189.919994
where:
bonds (distance) C4'-P energy: -51.998
bonds (distance) P-C4' energy: -53.009
flat angles C4'-P-C4' energy: -39.452
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -364.852925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.852925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.852925 (E_RNA)
where:
Base-Base interactions energy: -183.048
where: short stacking energy: -115.043
Base-Backbone interact. energy: -2.348
local terms energy: -179.456744
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -439.230155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.230155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.230155 (E_RNA)
where:
Base-Base interactions energy: -251.717
where: short stacking energy: -117.798
Base-Backbone interact. energy: -1.214
local terms energy: -186.298618
where:
bonds (distance) C4'-P energy: -45.773
bonds (distance) P-C4' energy: -51.504
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -264.576230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.576230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.576230 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.901
local terms energy: -155.031420
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: 11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -938.955200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.955200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.955200 (E_RNA)
where:
Base-Base interactions energy: -634.435
where: short stacking energy: -278.649
Base-Backbone interact. energy: -1.642
local terms energy: -302.879031
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -58.508
flat angles C4'-P-C4' energy: -66.747
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -89.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -914.478916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.478916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.478916 (E_RNA)
where:
Base-Base interactions energy: -622.384
where: short stacking energy: -271.833
Base-Backbone interact. energy: -0.508
local terms energy: -291.586638
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -66.571
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -83.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -898.018202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.018202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.018202 (E_RNA)
where:
Base-Base interactions energy: -608.224
where: short stacking energy: -286.757
Base-Backbone interact. energy: 1.397
local terms energy: -291.192081
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -60.675
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -89.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -812.724877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.724877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.724877 (E_RNA)
where:
Base-Base interactions energy: -520.132
where: short stacking energy: -238.686
Base-Backbone interact. energy: -1.148
local terms energy: -291.445556
where:
bonds (distance) C4'-P energy: -53.017
bonds (distance) P-C4' energy: -59.031
flat angles C4'-P-C4' energy: -56.161
flat angles P-C4'-P energy: -42.098
tors. eta vs tors. theta energy: -81.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -882.748799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.748799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.748799 (E_RNA)
where:
Base-Base interactions energy: -593.316
where: short stacking energy: -272.576
Base-Backbone interact. energy: -2.308
local terms energy: -287.125186
where:
bonds (distance) C4'-P energy: -45.091
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -84.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -739.276683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.276683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.276683 (E_RNA)
where:
Base-Base interactions energy: -497.609
where: short stacking energy: -215.572
Base-Backbone interact. energy: -0.014
local terms energy: -241.653338
where:
bonds (distance) C4'-P energy: -50.932
bonds (distance) P-C4' energy: -56.955
flat angles C4'-P-C4' energy: -54.239
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -53.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -511.584185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.584185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.584185 (E_RNA)
where:
Base-Base interactions energy: -307.563
where: short stacking energy: -145.201
Base-Backbone interact. energy: -1.601
local terms energy: -202.420467
where:
bonds (distance) C4'-P energy: -52.086
bonds (distance) P-C4' energy: -49.059
flat angles C4'-P-C4' energy: -48.052
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -399.927008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.927008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.927008 (E_RNA)
where:
Base-Base interactions energy: -227.158
where: short stacking energy: -115.762
Base-Backbone interact. energy: -0.865
local terms energy: -171.903939
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -43.889
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -12.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -404.551872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.551872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.551872 (E_RNA)
where:
Base-Base interactions energy: -197.032
where: short stacking energy: -117.405
Base-Backbone interact. energy: 0.727
local terms energy: -208.247327
where:
bonds (distance) C4'-P energy: -50.675
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -49.531
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -308.899028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.899028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.899028 (E_RNA)
where:
Base-Base interactions energy: -154.314
where: short stacking energy: -99.028
Base-Backbone interact. energy: -0.980
local terms energy: -153.604875
where:
bonds (distance) C4'-P energy: -37.525
bonds (distance) P-C4' energy: -45.659
flat angles C4'-P-C4' energy: -40.270
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -940.228764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.228764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.228764 (E_RNA)
where:
Base-Base interactions energy: -649.231
where: short stacking energy: -282.997
Base-Backbone interact. energy: 2.242
local terms energy: -293.240477
where:
bonds (distance) C4'-P energy: -55.148
bonds (distance) P-C4' energy: -55.585
flat angles C4'-P-C4' energy: -60.153
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -81.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -907.781483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.781483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.781483 (E_RNA)
where:
Base-Base interactions energy: -606.767
where: short stacking energy: -281.688
Base-Backbone interact. energy: -0.522
local terms energy: -300.492352
where:
bonds (distance) C4'-P energy: -51.811
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -43.852
tors. eta vs tors. theta energy: -86.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -896.861079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.861079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.861079 (E_RNA)
where:
Base-Base interactions energy: -611.272
where: short stacking energy: -255.194
Base-Backbone interact. energy: -1.985
local terms energy: -283.604268
where:
bonds (distance) C4'-P energy: -53.248
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -78.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -884.826792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.826792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.826792 (E_RNA)
where:
Base-Base interactions energy: -590.321
where: short stacking energy: -269.618
Base-Backbone interact. energy: -1.919
local terms energy: -292.587262
where:
bonds (distance) C4'-P energy: -52.293
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -42.830
tors. eta vs tors. theta energy: -86.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -827.995076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.995076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.995076 (E_RNA)
where:
Base-Base interactions energy: -562.812
where: short stacking energy: -258.768
Base-Backbone interact. energy: -0.022
local terms energy: -265.160686
where:
bonds (distance) C4'-P energy: -56.177
bonds (distance) P-C4' energy: -48.797
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -75.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -769.188917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.188917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.188917 (E_RNA)
where:
Base-Base interactions energy: -525.946
where: short stacking energy: -232.463
Base-Backbone interact. energy: -2.995
local terms energy: -240.247353
where:
bonds (distance) C4'-P energy: -49.019
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -49.572
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -62.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -522.322240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.322240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.322240 (E_RNA)
where:
Base-Base interactions energy: -321.561
where: short stacking energy: -149.175
Base-Backbone interact. energy: -1.330
local terms energy: -199.431403
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -51.898
flat angles C4'-P-C4' energy: -49.624
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -29.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -408.683094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.683094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.683094 (E_RNA)
where:
Base-Base interactions energy: -215.416
where: short stacking energy: -117.855
Base-Backbone interact. energy: -0.058
local terms energy: -193.209166
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -46.506
flat angles P-C4'-P energy: -27.553
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -388.078118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.078118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.078118 (E_RNA)
where:
Base-Base interactions energy: -197.943
where: short stacking energy: -118.788
Base-Backbone interact. energy: -1.136
local terms energy: -188.999762
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -334.629593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.629593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.629593 (E_RNA)
where:
Base-Base interactions energy: -160.890
where: short stacking energy: -105.366
Base-Backbone interact. energy: 0.282
local terms energy: -174.020967
where:
bonds (distance) C4'-P energy: -42.195
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -43.733
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -934.146076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.146076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.146076 (E_RNA)
where:
Base-Base interactions energy: -642.168
where: short stacking energy: -265.847
Base-Backbone interact. energy: 0.671
local terms energy: -292.649091
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -65.026
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -42.109
tors. eta vs tors. theta energy: -72.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -899.091050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.091050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.091050 (E_RNA)
where:
Base-Base interactions energy: -606.994
where: short stacking energy: -279.581
Base-Backbone interact. energy: -0.464
local terms energy: -291.633156
where:
bonds (distance) C4'-P energy: -59.398
bonds (distance) P-C4' energy: -56.131
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -32.181
tors. eta vs tors. theta energy: -79.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -886.269307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.269307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.269307 (E_RNA)
where:
Base-Base interactions energy: -597.200
where: short stacking energy: -254.599
Base-Backbone interact. energy: -0.157
local terms energy: -288.912184
where:
bonds (distance) C4'-P energy: -54.575
bonds (distance) P-C4' energy: -58.722
flat angles C4'-P-C4' energy: -58.496
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -76.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -894.327291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.327291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.327291 (E_RNA)
where:
Base-Base interactions energy: -602.872
where: short stacking energy: -268.916
Base-Backbone interact. energy: -0.866
local terms energy: -290.588702
where:
bonds (distance) C4'-P energy: -52.431
bonds (distance) P-C4' energy: -57.715
flat angles C4'-P-C4' energy: -59.411
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: -79.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -824.388050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.388050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.388050 (E_RNA)
where:
Base-Base interactions energy: -559.725
where: short stacking energy: -262.184
Base-Backbone interact. energy: -1.052
local terms energy: -263.611860
where:
bonds (distance) C4'-P energy: -48.775
bonds (distance) P-C4' energy: -43.082
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -74.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -811.748313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.748313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.748313 (E_RNA)
where:
Base-Base interactions energy: -539.535
where: short stacking energy: -253.225
Base-Backbone interact. energy: 0.048
local terms energy: -272.260992
where:
bonds (distance) C4'-P energy: -50.340
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -63.366
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -495.522986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.522986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.522986 (E_RNA)
where:
Base-Base interactions energy: -282.360
where: short stacking energy: -143.467
Base-Backbone interact. energy: -2.059
local terms energy: -211.104584
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -53.796
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -30.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -384.896122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.896122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.896122 (E_RNA)
where:
Base-Base interactions energy: -205.434
where: short stacking energy: -107.199
Base-Backbone interact. energy: -0.202
local terms energy: -179.259345
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -51.037
flat angles C4'-P-C4' energy: -45.039
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -408.575478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.575478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.575478 (E_RNA)
where:
Base-Base interactions energy: -233.725
where: short stacking energy: -115.676
Base-Backbone interact. energy: -1.135
local terms energy: -173.715635
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -48.280
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -283.258196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.258196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.258196 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -66.276
Base-Backbone interact. energy: -0.845
local terms energy: -157.038153
where:
bonds (distance) C4'-P energy: -53.432
bonds (distance) P-C4' energy: -48.055
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: 1.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -939.665575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.665575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.665575 (E_RNA)
where:
Base-Base interactions energy: -631.163
where: short stacking energy: -276.638
Base-Backbone interact. energy: -1.099
local terms energy: -307.403521
where:
bonds (distance) C4'-P energy: -61.918
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -64.325
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -84.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -890.703415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.703415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.703415 (E_RNA)
where:
Base-Base interactions energy: -607.408
where: short stacking energy: -264.495
Base-Backbone interact. energy: -0.422
local terms energy: -282.873965
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -61.266
flat angles C4'-P-C4' energy: -56.017
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: -77.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -875.949201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.949201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.949201 (E_RNA)
where:
Base-Base interactions energy: -584.081
where: short stacking energy: -269.522
Base-Backbone interact. energy: -0.475
local terms energy: -291.393595
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -79.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -901.735973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.735973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.735973 (E_RNA)
where:
Base-Base interactions energy: -612.474
where: short stacking energy: -277.606
Base-Backbone interact. energy: 1.200
local terms energy: -290.462297
where:
bonds (distance) C4'-P energy: -44.520
bonds (distance) P-C4' energy: -60.129
flat angles C4'-P-C4' energy: -61.927
flat angles P-C4'-P energy: -37.960
tors. eta vs tors. theta energy: -85.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -761.458375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.458375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.458375 (E_RNA)
where:
Base-Base interactions energy: -506.634
where: short stacking energy: -222.435
Base-Backbone interact. energy: 1.051
local terms energy: -255.875053
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -52.772
flat angles P-C4'-P energy: -36.075
tors. eta vs tors. theta energy: -63.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -774.548504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.548504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.548504 (E_RNA)
where:
Base-Base interactions energy: -529.499
where: short stacking energy: -232.522
Base-Backbone interact. energy: 0.275
local terms energy: -245.324798
where:
bonds (distance) C4'-P energy: -38.555
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -70.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -562.456929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.456929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.456929 (E_RNA)
where:
Base-Base interactions energy: -334.365
where: short stacking energy: -153.215
Base-Backbone interact. energy: -1.174
local terms energy: -226.917601
where:
bonds (distance) C4'-P energy: -56.358
bonds (distance) P-C4' energy: -54.095
flat angles C4'-P-C4' energy: -53.425
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: -28.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -427.220924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.220924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.220924 (E_RNA)
where:
Base-Base interactions energy: -245.020
where: short stacking energy: -135.464
Base-Backbone interact. energy: 3.399
local terms energy: -185.599929
where:
bonds (distance) C4'-P energy: -43.221
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -43.470
flat angles P-C4'-P energy: -19.992
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -332.548120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.548120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.548120 (E_RNA)
where:
Base-Base interactions energy: -160.812
where: short stacking energy: -100.592
Base-Backbone interact. energy: -0.358
local terms energy: -171.377771
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -43.992
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -253.137402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.137402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.137402 (E_RNA)
where:
Base-Base interactions energy: -75.714
where: short stacking energy: -73.294
Base-Backbone interact. energy: -1.896
local terms energy: -175.527557
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -39.916
flat angles C4'-P-C4' energy: -50.800
flat angles P-C4'-P energy: -31.642
tors. eta vs tors. theta energy: 4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -950.325481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.325481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.325481 (E_RNA)
where:
Base-Base interactions energy: -625.309
where: short stacking energy: -265.440
Base-Backbone interact. energy: -4.151
local terms energy: -320.865844
where:
bonds (distance) C4'-P energy: -61.253
bonds (distance) P-C4' energy: -63.939
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -45.752
tors. eta vs tors. theta energy: -81.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -930.796667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.796667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.796667 (E_RNA)
where:
Base-Base interactions energy: -645.367
where: short stacking energy: -269.505
Base-Backbone interact. energy: -1.291
local terms energy: -284.138479
where:
bonds (distance) C4'-P energy: -46.789
bonds (distance) P-C4' energy: -52.720
flat angles C4'-P-C4' energy: -62.581
flat angles P-C4'-P energy: -41.124
tors. eta vs tors. theta energy: -80.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -908.448847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.448847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.448847 (E_RNA)
where:
Base-Base interactions energy: -610.525
where: short stacking energy: -271.942
Base-Backbone interact. energy: -0.065
local terms energy: -297.859336
where:
bonds (distance) C4'-P energy: -55.616
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -81.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -848.645277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.645277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.645277 (E_RNA)
where:
Base-Base interactions energy: -568.897
where: short stacking energy: -267.514
Base-Backbone interact. energy: 0.234
local terms energy: -279.982268
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -61.202
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -40.117
tors. eta vs tors. theta energy: -73.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -766.754394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.754394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.754394 (E_RNA)
where:
Base-Base interactions energy: -494.473
where: short stacking energy: -244.480
Base-Backbone interact. energy: -1.782
local terms energy: -270.499999
where:
bonds (distance) C4'-P energy: -60.605
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -63.866
flat angles P-C4'-P energy: -34.314
tors. eta vs tors. theta energy: -70.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -759.818452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.818452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.818452 (E_RNA)
where:
Base-Base interactions energy: -504.586
where: short stacking energy: -217.960
Base-Backbone interact. energy: -2.164
local terms energy: -253.068333
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -55.987
flat angles C4'-P-C4' energy: -48.399
flat angles P-C4'-P energy: -29.421
tors. eta vs tors. theta energy: -64.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -530.116231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.116231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.116231 (E_RNA)
where:
Base-Base interactions energy: -331.305
where: short stacking energy: -156.095
Base-Backbone interact. energy: -1.287
local terms energy: -197.524107
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -41.153
flat angles C4'-P-C4' energy: -46.711
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -450.020427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.020427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.020427 (E_RNA)
where:
Base-Base interactions energy: -278.753
where: short stacking energy: -131.249
Base-Backbone interact. energy: -1.649
local terms energy: -169.618762
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -271.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.980738 (E_RNA)
where:
Base-Base interactions energy: -101.668
where: short stacking energy: -82.880
Base-Backbone interact. energy: -1.366
local terms energy: -168.946971
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -26.923
flat angles P-C4'-P energy: -31.122
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -315.453476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.453476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.453476 (E_RNA)
where:
Base-Base interactions energy: -157.130
where: short stacking energy: -87.113
Base-Backbone interact. energy: -0.568
local terms energy: -157.756417
where:
bonds (distance) C4'-P energy: -53.807
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -37.129
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -985.092900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.092900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.092900 (E_RNA)
where:
Base-Base interactions energy: -685.546
where: short stacking energy: -303.821
Base-Backbone interact. energy: -1.648
local terms energy: -297.899073
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -53.077
flat angles C4'-P-C4' energy: -64.834
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -90.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -943.652397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.652397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.652397 (E_RNA)
where:
Base-Base interactions energy: -638.166
where: short stacking energy: -297.750
Base-Backbone interact. energy: -1.550
local terms energy: -303.936760
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -58.466
flat angles C4'-P-C4' energy: -55.173
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -92.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -911.318590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.318590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.318590 (E_RNA)
where:
Base-Base interactions energy: -614.689
where: short stacking energy: -270.837
Base-Backbone interact. energy: 2.261
local terms energy: -298.889756
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -79.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -849.363932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.363932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.363932 (E_RNA)
where:
Base-Base interactions energy: -564.997
where: short stacking energy: -243.239
Base-Backbone interact. energy: -0.651
local terms energy: -283.716586
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -59.192
flat angles C4'-P-C4' energy: -60.415
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -74.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -807.410995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.410995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.410995 (E_RNA)
where:
Base-Base interactions energy: -531.742
where: short stacking energy: -253.180
Base-Backbone interact. energy: -1.054
local terms energy: -274.614670
where:
bonds (distance) C4'-P energy: -52.903
bonds (distance) P-C4' energy: -50.510
flat angles C4'-P-C4' energy: -61.176
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -76.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -736.642499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.642499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.642499 (E_RNA)
where:
Base-Base interactions energy: -478.479
where: short stacking energy: -212.851
Base-Backbone interact. energy: -1.490
local terms energy: -256.673788
where:
bonds (distance) C4'-P energy: -62.226
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -51.591
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -59.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -497.602173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.602173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.602173 (E_RNA)
where:
Base-Base interactions energy: -299.154
where: short stacking energy: -153.398
Base-Backbone interact. energy: -0.978
local terms energy: -197.470232
where:
bonds (distance) C4'-P energy: -39.432
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -38.498
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -36.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -500.488298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.488298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.488298 (E_RNA)
where:
Base-Base interactions energy: -303.620
where: short stacking energy: -157.330
Base-Backbone interact. energy: -0.305
local terms energy: -196.562767
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -46.054
flat angles P-C4'-P energy: -30.766
tors. eta vs tors. theta energy: -30.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -263.501989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.501989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.501989 (E_RNA)
where:
Base-Base interactions energy: -103.387
where: short stacking energy: -99.333
Base-Backbone interact. energy: -1.114
local terms energy: -159.000851
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -55.222
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: 1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -304.986200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.986200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.986200 (E_RNA)
where:
Base-Base interactions energy: -152.631
where: short stacking energy: -91.054
Base-Backbone interact. energy: -1.030
local terms energy: -151.325473
where:
bonds (distance) C4'-P energy: -43.216
bonds (distance) P-C4' energy: -53.643
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: 5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -973.930547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.930547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.930547 (E_RNA)
where:
Base-Base interactions energy: -644.832
where: short stacking energy: -287.177
Base-Backbone interact. energy: -2.634
local terms energy: -326.465299
where:
bonds (distance) C4'-P energy: -62.583
bonds (distance) P-C4' energy: -59.480
flat angles C4'-P-C4' energy: -65.080
flat angles P-C4'-P energy: -47.381
tors. eta vs tors. theta energy: -91.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -961.502101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.502101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.502101 (E_RNA)
where:
Base-Base interactions energy: -648.306
where: short stacking energy: -282.484
Base-Backbone interact. energy: -3.008
local terms energy: -310.187751
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -58.716
flat angles C4'-P-C4' energy: -57.980
flat angles P-C4'-P energy: -45.467
tors. eta vs tors. theta energy: -92.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -871.285749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.285749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.285749 (E_RNA)
where:
Base-Base interactions energy: -590.978
where: short stacking energy: -274.086
Base-Backbone interact. energy: 1.864
local terms energy: -282.171771
where:
bonds (distance) C4'-P energy: -47.071
bonds (distance) P-C4' energy: -55.560
flat angles C4'-P-C4' energy: -63.858
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -77.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -835.374255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.374255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.374255 (E_RNA)
where:
Base-Base interactions energy: -569.937
where: short stacking energy: -261.461
Base-Backbone interact. energy: -0.771
local terms energy: -264.667192
where:
bonds (distance) C4'-P energy: -55.804
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -65.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -830.561337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.561337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.561337 (E_RNA)
where:
Base-Base interactions energy: -543.324
where: short stacking energy: -249.558
Base-Backbone interact. energy: -2.102
local terms energy: -285.135845
where:
bonds (distance) C4'-P energy: -55.680
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -62.878
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: -77.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -729.238230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.238230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.238230 (E_RNA)
where:
Base-Base interactions energy: -476.139
where: short stacking energy: -222.516
Base-Backbone interact. energy: -0.618
local terms energy: -252.482044
where:
bonds (distance) C4'-P energy: -41.138
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -64.508
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -69.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -541.430958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.430958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.430958 (E_RNA)
where:
Base-Base interactions energy: -338.398
where: short stacking energy: -171.784
Base-Backbone interact. energy: -0.674
local terms energy: -202.359143
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -47.302
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -456.044286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.044286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.044286 (E_RNA)
where:
Base-Base interactions energy: -272.289
where: short stacking energy: -122.098
Base-Backbone interact. energy: 1.042
local terms energy: -184.796968
where:
bonds (distance) C4'-P energy: -51.785
bonds (distance) P-C4' energy: -50.071
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -335.941579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.941579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.941579 (E_RNA)
where:
Base-Base interactions energy: -165.190
where: short stacking energy: -101.168
Base-Backbone interact. energy: 0.555
local terms energy: -171.306044
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -63.711
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -19.793
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -236.657711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.657711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.657711 (E_RNA)
where:
Base-Base interactions energy: -78.440
where: short stacking energy: -63.515
Base-Backbone interact. energy: 5.362
local terms energy: -163.580019
where:
bonds (distance) C4'-P energy: -51.409
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -42.149
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: 9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -975.610620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.610620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.610620 (E_RNA)
where:
Base-Base interactions energy: -663.659
where: short stacking energy: -299.472
Base-Backbone interact. energy: -1.971
local terms energy: -309.980434
where:
bonds (distance) C4'-P energy: -48.106
bonds (distance) P-C4' energy: -61.607
flat angles C4'-P-C4' energy: -63.098
flat angles P-C4'-P energy: -51.056
tors. eta vs tors. theta energy: -86.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -956.397302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.397302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.397302 (E_RNA)
where:
Base-Base interactions energy: -639.860
where: short stacking energy: -274.325
Base-Backbone interact. energy: -2.160
local terms energy: -314.376908
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -70.168
flat angles P-C4'-P energy: -52.306
tors. eta vs tors. theta energy: -79.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -900.534673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.534673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.534673 (E_RNA)
where:
Base-Base interactions energy: -606.000
where: short stacking energy: -258.888
Base-Backbone interact. energy: 0.373
local terms energy: -294.908201
where:
bonds (distance) C4'-P energy: -56.422
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -64.291
flat angles P-C4'-P energy: -46.483
tors. eta vs tors. theta energy: -85.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -824.256675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.256675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.256675 (E_RNA)
where:
Base-Base interactions energy: -537.789
where: short stacking energy: -262.841
Base-Backbone interact. energy: -1.463
local terms energy: -285.004068
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -62.383
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -81.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -828.118414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.118414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.118414 (E_RNA)
where:
Base-Base interactions energy: -551.683
where: short stacking energy: -248.446
Base-Backbone interact. energy: -1.264
local terms energy: -275.171047
where:
bonds (distance) C4'-P energy: -52.157
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -58.442
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -77.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -740.821007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.821007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.821007 (E_RNA)
where:
Base-Base interactions energy: -477.833
where: short stacking energy: -231.286
Base-Backbone interact. energy: -0.897
local terms energy: -262.091101
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -56.501
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -65.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -577.031816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.031816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.031816 (E_RNA)
where:
Base-Base interactions energy: -374.132
where: short stacking energy: -200.434
Base-Backbone interact. energy: -1.397
local terms energy: -201.502473
where:
bonds (distance) C4'-P energy: -40.092
bonds (distance) P-C4' energy: -40.269
flat angles C4'-P-C4' energy: -43.153
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -39.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -521.097885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.097885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.097885 (E_RNA)
where:
Base-Base interactions energy: -329.542
where: short stacking energy: -163.161
Base-Backbone interact. energy: -1.242
local terms energy: -190.313522
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -46.975
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -24.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -361.500893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.500893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.500893 (E_RNA)
where:
Base-Base interactions energy: -188.623
where: short stacking energy: -120.609
Base-Backbone interact. energy: -1.679
local terms energy: -171.199107
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -40.970
flat angles C4'-P-C4' energy: -42.154
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -246.491330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.491330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.491330 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -91.885
Base-Backbone interact. energy: -2.621
local terms energy: -143.159236
where:
bonds (distance) C4'-P energy: -42.165
bonds (distance) P-C4' energy: -52.214
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: 4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -978.540416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.540416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.540416 (E_RNA)
where:
Base-Base interactions energy: -651.902
where: short stacking energy: -284.631
Base-Backbone interact. energy: -0.967
local terms energy: -325.671538
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -67.856
flat angles C4'-P-C4' energy: -60.255
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -91.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -954.177439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.177439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.177439 (E_RNA)
where:
Base-Base interactions energy: -650.976
where: short stacking energy: -282.653
Base-Backbone interact. energy: -1.549
local terms energy: -301.652006
where:
bonds (distance) C4'-P energy: -50.319
bonds (distance) P-C4' energy: -59.670
flat angles C4'-P-C4' energy: -60.882
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -84.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -901.576322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.576322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.576322 (E_RNA)
where:
Base-Base interactions energy: -604.142
where: short stacking energy: -275.502
Base-Backbone interact. energy: -1.040
local terms energy: -296.394471
where:
bonds (distance) C4'-P energy: -53.113
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -60.658
flat angles P-C4'-P energy: -44.620
tors. eta vs tors. theta energy: -82.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -819.929337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.929337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.929337 (E_RNA)
where:
Base-Base interactions energy: -544.468
where: short stacking energy: -256.091
Base-Backbone interact. energy: -1.502
local terms energy: -273.959683
where:
bonds (distance) C4'-P energy: -50.896
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -56.816
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: -76.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -838.018962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.018962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.018962 (E_RNA)
where:
Base-Base interactions energy: -562.873
where: short stacking energy: -249.106
Base-Backbone interact. energy: 0.407
local terms energy: -275.552651
where:
bonds (distance) C4'-P energy: -52.085
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -82.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -701.827192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.827192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.827192 (E_RNA)
where:
Base-Base interactions energy: -454.991
where: short stacking energy: -212.667
Base-Backbone interact. energy: -1.351
local terms energy: -245.485991
where:
bonds (distance) C4'-P energy: -40.844
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -64.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -544.736568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.736568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.736568 (E_RNA)
where:
Base-Base interactions energy: -355.234
where: short stacking energy: -153.632
Base-Backbone interact. energy: -1.096
local terms energy: -188.407223
where:
bonds (distance) C4'-P energy: -37.757
bonds (distance) P-C4' energy: -44.695
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -31.706
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -568.090162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.090162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.090162 (E_RNA)
where:
Base-Base interactions energy: -352.733
where: short stacking energy: -177.786
Base-Backbone interact. energy: -2.337
local terms energy: -213.020172
where:
bonds (distance) C4'-P energy: -50.733
bonds (distance) P-C4' energy: -50.874
flat angles C4'-P-C4' energy: -55.501
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -33.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -334.352886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.352886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.352886 (E_RNA)
where:
Base-Base interactions energy: -150.875
where: short stacking energy: -77.921
Base-Backbone interact. energy: 0.822
local terms energy: -184.300354
where:
bonds (distance) C4'-P energy: -50.412
bonds (distance) P-C4' energy: -51.510
flat angles C4'-P-C4' energy: -44.316
flat angles P-C4'-P energy: -35.207
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -236.665161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.665161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.665161 (E_RNA)
where:
Base-Base interactions energy: -70.931
where: short stacking energy: -63.151
Base-Backbone interact. energy: -1.945
local terms energy: -163.788987
where:
bonds (distance) C4'-P energy: -53.482
bonds (distance) P-C4' energy: -46.881
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: 3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -986.016987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.016987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.016987 (E_RNA)
where:
Base-Base interactions energy: -681.759
where: short stacking energy: -287.743
Base-Backbone interact. energy: -2.060
local terms energy: -302.198399
where:
bonds (distance) C4'-P energy: -55.501
bonds (distance) P-C4' energy: -49.954
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -46.843
tors. eta vs tors. theta energy: -86.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -937.077832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.077832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.077832 (E_RNA)
where:
Base-Base interactions energy: -628.539
where: short stacking energy: -286.789
Base-Backbone interact. energy: -1.299
local terms energy: -307.239643
where:
bonds (distance) C4'-P energy: -61.194
bonds (distance) P-C4' energy: -58.371
flat angles C4'-P-C4' energy: -60.692
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -83.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -897.856292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.856292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.856292 (E_RNA)
where:
Base-Base interactions energy: -608.486
where: short stacking energy: -276.199
Base-Backbone interact. energy: -0.906
local terms energy: -288.465072
where:
bonds (distance) C4'-P energy: -46.020
bonds (distance) P-C4' energy: -52.447
flat angles C4'-P-C4' energy: -64.508
flat angles P-C4'-P energy: -45.706
tors. eta vs tors. theta energy: -79.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -859.040473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.040473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.040473 (E_RNA)
where:
Base-Base interactions energy: -580.324
where: short stacking energy: -266.763
Base-Backbone interact. energy: -0.953
local terms energy: -277.763324
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -58.640
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -37.717
tors. eta vs tors. theta energy: -83.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -745.866464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.866464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.866464 (E_RNA)
where:
Base-Base interactions energy: -481.588
where: short stacking energy: -226.076
Base-Backbone interact. energy: -1.048
local terms energy: -263.230841
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -59.340
flat angles C4'-P-C4' energy: -53.642
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -75.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -732.621585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.621585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.621585 (E_RNA)
where:
Base-Base interactions energy: -501.632
where: short stacking energy: -217.792
Base-Backbone interact. energy: -1.444
local terms energy: -229.546366
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -46.407
flat angles C4'-P-C4' energy: -51.596
flat angles P-C4'-P energy: -28.125
tors. eta vs tors. theta energy: -52.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -541.629025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.629025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.629025 (E_RNA)
where:
Base-Base interactions energy: -324.050
where: short stacking energy: -152.921
Base-Backbone interact. energy: -1.646
local terms energy: -215.933136
where:
bonds (distance) C4'-P energy: -47.959
bonds (distance) P-C4' energy: -55.125
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -26.522
tors. eta vs tors. theta energy: -38.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -594.430832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.430832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.430832 (E_RNA)
where:
Base-Base interactions energy: -377.703
where: short stacking energy: -178.932
Base-Backbone interact. energy: 3.104
local terms energy: -219.831636
where:
bonds (distance) C4'-P energy: -52.988
bonds (distance) P-C4' energy: -40.078
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -38.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -341.482869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.482869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.482869 (E_RNA)
where:
Base-Base interactions energy: -199.201
where: short stacking energy: -103.638
Base-Backbone interact. energy: -0.227
local terms energy: -142.055105
where:
bonds (distance) C4'-P energy: -43.012
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -48.272
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: 4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -238.052087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.052087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.052087 (E_RNA)
where:
Base-Base interactions energy: -77.790
where: short stacking energy: -74.011
Base-Backbone interact. energy: -1.500
local terms energy: -158.762099
where:
bonds (distance) C4'-P energy: -36.092
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -46.809
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -957.820071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.820071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.820071 (E_RNA)
where:
Base-Base interactions energy: -650.026
where: short stacking energy: -282.849
Base-Backbone interact. energy: -1.897
local terms energy: -305.896891
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -68.881
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -83.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -911.133549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.133549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.133549 (E_RNA)
where:
Base-Base interactions energy: -615.836
where: short stacking energy: -270.448
Base-Backbone interact. energy: -1.742
local terms energy: -293.556111
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -64.208
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -81.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -902.151299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.151299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.151299 (E_RNA)
where:
Base-Base interactions energy: -623.205
where: short stacking energy: -273.666
Base-Backbone interact. energy: -0.293
local terms energy: -278.653319
where:
bonds (distance) C4'-P energy: -54.224
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -54.515
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -80.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -890.610957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.610957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.610957 (E_RNA)
where:
Base-Base interactions energy: -597.003
where: short stacking energy: -260.275
Base-Backbone interact. energy: -0.267
local terms energy: -293.340026
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -88.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -740.415886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.415886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.415886 (E_RNA)
where:
Base-Base interactions energy: -479.232
where: short stacking energy: -211.508
Base-Backbone interact. energy: -0.924
local terms energy: -260.259832
where:
bonds (distance) C4'-P energy: -54.711
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -52.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -705.558090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.558090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.558090 (E_RNA)
where:
Base-Base interactions energy: -474.989
where: short stacking energy: -209.040
Base-Backbone interact. energy: -1.253
local terms energy: -229.316459
where:
bonds (distance) C4'-P energy: -44.340
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -27.906
tors. eta vs tors. theta energy: -60.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -582.808271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.808271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.808271 (E_RNA)
where:
Base-Base interactions energy: -373.247
where: short stacking energy: -172.330
Base-Backbone interact. energy: -0.055
local terms energy: -209.506525
where:
bonds (distance) C4'-P energy: -52.343
bonds (distance) P-C4' energy: -46.061
flat angles C4'-P-C4' energy: -54.640
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -43.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -494.357892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.357892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.357892 (E_RNA)
where:
Base-Base interactions energy: -300.057
where: short stacking energy: -149.367
Base-Backbone interact. energy: -0.245
local terms energy: -194.055916
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -47.681
flat angles C4'-P-C4' energy: -45.276
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -343.426979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.426979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.426979 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -92.973
Base-Backbone interact. energy: -1.333
local terms energy: -158.917052
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -54.732
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -30.810
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -231.019373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.019373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.019373 (E_RNA)
where:
Base-Base interactions energy: -81.056
where: short stacking energy: -73.391
Base-Backbone interact. energy: 0.550
local terms energy: -150.512897
where:
bonds (distance) C4'-P energy: -44.447
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -972.996958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.996958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.996958 (E_RNA)
where:
Base-Base interactions energy: -659.492
where: short stacking energy: -297.866
Base-Backbone interact. energy: -1.123
local terms energy: -312.381483
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -50.825
flat angles C4'-P-C4' energy: -70.724
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -93.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -926.480528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.480528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.480528 (E_RNA)
where:
Base-Base interactions energy: -623.931
where: short stacking energy: -264.421
Base-Backbone interact. energy: -2.010
local terms energy: -300.539864
where:
bonds (distance) C4'-P energy: -56.220
bonds (distance) P-C4' energy: -60.231
flat angles C4'-P-C4' energy: -66.706
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -80.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -915.665166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.665166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.665166 (E_RNA)
where:
Base-Base interactions energy: -637.316
where: short stacking energy: -290.692
Base-Backbone interact. energy: -2.887
local terms energy: -275.461604
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -47.622
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -81.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -878.519238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.519238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.519238 (E_RNA)
where:
Base-Base interactions energy: -605.437
where: short stacking energy: -249.009
Base-Backbone interact. energy: -0.773
local terms energy: -272.309273
where:
bonds (distance) C4'-P energy: -53.667
bonds (distance) P-C4' energy: -56.106
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -37.903
tors. eta vs tors. theta energy: -74.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -788.185613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.185613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.185613 (E_RNA)
where:
Base-Base interactions energy: -520.585
where: short stacking energy: -239.217
Base-Backbone interact. energy: -0.216
local terms energy: -267.385182
where:
bonds (distance) C4'-P energy: -49.962
bonds (distance) P-C4' energy: -59.836
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -69.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -689.779549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.779549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.779549 (E_RNA)
where:
Base-Base interactions energy: -453.853
where: short stacking energy: -195.613
Base-Backbone interact. energy: -1.513
local terms energy: -234.413425
where:
bonds (distance) C4'-P energy: -51.787
bonds (distance) P-C4' energy: -58.711
flat angles C4'-P-C4' energy: -49.559
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -575.743510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.743510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.743510 (E_RNA)
where:
Base-Base interactions energy: -367.575
where: short stacking energy: -161.007
Base-Backbone interact. energy: -2.343
local terms energy: -205.825525
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -48.442
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: -32.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -453.225229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.225229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.225229 (E_RNA)
where:
Base-Base interactions energy: -276.611
where: short stacking energy: -140.370
Base-Backbone interact. energy: 0.721
local terms energy: -177.335116
where:
bonds (distance) C4'-P energy: -34.248
bonds (distance) P-C4' energy: -41.545
flat angles C4'-P-C4' energy: -47.220
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -336.499873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.499873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.499873 (E_RNA)
where:
Base-Base interactions energy: -169.953
where: short stacking energy: -94.195
Base-Backbone interact. energy: -0.443
local terms energy: -166.103349
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -46.883
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -265.970012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.970012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.970012 (E_RNA)
where:
Base-Base interactions energy: -96.618
where: short stacking energy: -85.446
Base-Backbone interact. energy: 1.366
local terms energy: -170.717326
where:
bonds (distance) C4'-P energy: -47.887
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -44.029
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -995.353966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.353966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.353966 (E_RNA)
where:
Base-Base interactions energy: -682.535
where: short stacking energy: -284.972
Base-Backbone interact. energy: -0.471
local terms energy: -312.348093
where:
bonds (distance) C4'-P energy: -58.741
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -64.279
flat angles P-C4'-P energy: -45.861
tors. eta vs tors. theta energy: -87.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -903.766236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.766236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.766236 (E_RNA)
where:
Base-Base interactions energy: -611.055
where: short stacking energy: -266.704
Base-Backbone interact. energy: -1.388
local terms energy: -291.323078
where:
bonds (distance) C4'-P energy: -51.568
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -63.267
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -78.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -900.231421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.231421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.231421 (E_RNA)
where:
Base-Base interactions energy: -605.554
where: short stacking energy: -269.154
Base-Backbone interact. energy: -1.923
local terms energy: -292.755048
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -57.204
flat angles C4'-P-C4' energy: -59.180
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: -81.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -893.026447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.026447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.026447 (E_RNA)
where:
Base-Base interactions energy: -602.340
where: short stacking energy: -265.803
Base-Backbone interact. energy: -0.255
local terms energy: -290.431883
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -54.289
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -85.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -796.275754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.275754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.275754 (E_RNA)
where:
Base-Base interactions energy: -523.034
where: short stacking energy: -246.046
Base-Backbone interact. energy: -4.102
local terms energy: -269.140040
where:
bonds (distance) C4'-P energy: -43.195
bonds (distance) P-C4' energy: -59.712
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -69.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -705.081373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.081373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.081373 (E_RNA)
where:
Base-Base interactions energy: -447.125
where: short stacking energy: -210.309
Base-Backbone interact. energy: -0.076
local terms energy: -257.879905
where:
bonds (distance) C4'-P energy: -51.728
bonds (distance) P-C4' energy: -59.493
flat angles C4'-P-C4' energy: -51.778
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -61.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -578.575936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.575936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.575936 (E_RNA)
where:
Base-Base interactions energy: -372.762
where: short stacking energy: -190.450
Base-Backbone interact. energy: 2.560
local terms energy: -208.373882
where:
bonds (distance) C4'-P energy: -43.492
bonds (distance) P-C4' energy: -49.643
flat angles C4'-P-C4' energy: -43.469
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -45.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -503.152871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.152871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.152871 (E_RNA)
where:
Base-Base interactions energy: -310.308
where: short stacking energy: -154.236
Base-Backbone interact. energy: -1.141
local terms energy: -191.704169
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -349.978187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.978187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.978187 (E_RNA)
where:
Base-Base interactions energy: -176.532
where: short stacking energy: -117.543
Base-Backbone interact. energy: 0.563
local terms energy: -174.009410
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -51.339
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -304.327094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.327094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.327094 (E_RNA)
where:
Base-Base interactions energy: -152.366
where: short stacking energy: -88.166
Base-Backbone interact. energy: -1.230
local terms energy: -150.731204
where:
bonds (distance) C4'-P energy: -54.805
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -968.475790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.475790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.475790 (E_RNA)
where:
Base-Base interactions energy: -659.039
where: short stacking energy: -290.179
Base-Backbone interact. energy: -0.263
local terms energy: -309.174267
where:
bonds (distance) C4'-P energy: -60.708
bonds (distance) P-C4' energy: -58.065
flat angles C4'-P-C4' energy: -63.682
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -85.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -926.474619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.474619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.474619 (E_RNA)
where:
Base-Base interactions energy: -623.088
where: short stacking energy: -287.266
Base-Backbone interact. energy: -0.195
local terms energy: -303.191489
where:
bonds (distance) C4'-P energy: -53.332
bonds (distance) P-C4' energy: -56.775
flat angles C4'-P-C4' energy: -63.319
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -88.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -912.127439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.127439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.127439 (E_RNA)
where:
Base-Base interactions energy: -620.213
where: short stacking energy: -265.802
Base-Backbone interact. energy: -2.663
local terms energy: -289.251646
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -54.908
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -40.550
tors. eta vs tors. theta energy: -81.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -874.840588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.840588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.840588 (E_RNA)
where:
Base-Base interactions energy: -577.975
where: short stacking energy: -266.300
Base-Backbone interact. energy: -1.225
local terms energy: -295.640363
where:
bonds (distance) C4'-P energy: -50.776
bonds (distance) P-C4' energy: -59.156
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -39.773
tors. eta vs tors. theta energy: -79.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -831.211105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.211105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.211105 (E_RNA)
where:
Base-Base interactions energy: -556.990
where: short stacking energy: -269.032
Base-Backbone interact. energy: -1.486
local terms energy: -272.734921
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -50.358
flat angles C4'-P-C4' energy: -58.154
flat angles P-C4'-P energy: -34.986
tors. eta vs tors. theta energy: -81.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -718.811855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.811855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.811855 (E_RNA)
where:
Base-Base interactions energy: -476.936
where: short stacking energy: -219.540
Base-Backbone interact. energy: -0.912
local terms energy: -240.964058
where:
bonds (distance) C4'-P energy: -45.770
bonds (distance) P-C4' energy: -45.277
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -60.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -541.160425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.160425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.160425 (E_RNA)
where:
Base-Base interactions energy: -351.505
where: short stacking energy: -158.280
Base-Backbone interact. energy: -0.677
local terms energy: -188.978680
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -41.556
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -33.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -512.620772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.620772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.620772 (E_RNA)
where:
Base-Base interactions energy: -323.809
where: short stacking energy: -149.458
Base-Backbone interact. energy: -0.201
local terms energy: -188.610612
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -58.442
flat angles C4'-P-C4' energy: -41.505
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -322.539710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.539710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.539710 (E_RNA)
where:
Base-Base interactions energy: -130.947
where: short stacking energy: -81.195
Base-Backbone interact. energy: 0.290
local terms energy: -191.882843
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -50.140
flat angles P-C4'-P energy: -31.408
tors. eta vs tors. theta energy: -5.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -273.229943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.229943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.229943 (E_RNA)
where:
Base-Base interactions energy: -122.814
where: short stacking energy: -88.768
Base-Backbone interact. energy: 0.332
local terms energy: -150.747587
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -49.741
flat angles C4'-P-C4' energy: -39.312
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -986.604744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.604744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.604744 (E_RNA)
where:
Base-Base interactions energy: -676.816
where: short stacking energy: -281.155
Base-Backbone interact. energy: -2.001
local terms energy: -307.787664
where:
bonds (distance) C4'-P energy: -56.764
bonds (distance) P-C4' energy: -53.435
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -49.419
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -985.801603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.801603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.801603 (E_RNA)
where:
Base-Base interactions energy: -666.980
where: short stacking energy: -296.426
Base-Backbone interact. energy: -0.694
local terms energy: -318.127803
where:
bonds (distance) C4'-P energy: -51.890
bonds (distance) P-C4' energy: -52.516
flat angles C4'-P-C4' energy: -68.767
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -95.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -894.133498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.133498 (E_RNA)
where:
Base-Base interactions energy: -582.935
where: short stacking energy: -282.964
Base-Backbone interact. energy: -1.956
local terms energy: -309.241785
where:
bonds (distance) C4'-P energy: -50.983
bonds (distance) P-C4' energy: -60.406
flat angles C4'-P-C4' energy: -66.957
flat angles P-C4'-P energy: -45.258
tors. eta vs tors. theta energy: -85.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -887.666980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.666980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.666980 (E_RNA)
where:
Base-Base interactions energy: -605.712
where: short stacking energy: -261.158
Base-Backbone interact. energy: -0.962
local terms energy: -280.993679
where:
bonds (distance) C4'-P energy: -55.517
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -39.643
tors. eta vs tors. theta energy: -72.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -770.039332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.039332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.039332 (E_RNA)
where:
Base-Base interactions energy: -520.491
where: short stacking energy: -237.112
Base-Backbone interact. energy: 4.145
local terms energy: -253.692856
where:
bonds (distance) C4'-P energy: -52.057
bonds (distance) P-C4' energy: -43.964
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -28.876
tors. eta vs tors. theta energy: -71.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -680.187800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.187800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.187800 (E_RNA)
where:
Base-Base interactions energy: -454.839
where: short stacking energy: -216.759
Base-Backbone interact. energy: -0.551
local terms energy: -224.797567
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -48.450
flat angles P-C4'-P energy: -27.904
tors. eta vs tors. theta energy: -53.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -563.314491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.314491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.314491 (E_RNA)
where:
Base-Base interactions energy: -356.755
where: short stacking energy: -178.048
Base-Backbone interact. energy: -1.146
local terms energy: -205.413707
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: -36.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -559.560534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.560534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.560534 (E_RNA)
where:
Base-Base interactions energy: -343.100
where: short stacking energy: -150.062
Base-Backbone interact. energy: -0.823
local terms energy: -215.637543
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -33.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -388.189041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.189041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.189041 (E_RNA)
where:
Base-Base interactions energy: -203.609
where: short stacking energy: -108.952
Base-Backbone interact. energy: -1.585
local terms energy: -182.995637
where:
bonds (distance) C4'-P energy: -42.972
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -46.039
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -283.029874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.029874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.029874 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -88.264
Base-Backbone interact. energy: 1.241
local terms energy: -144.878683
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -47.715
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: 5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -981.213352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.213352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.213352 (E_RNA)
where:
Base-Base interactions energy: -672.195
where: short stacking energy: -273.734
Base-Backbone interact. energy: -2.345
local terms energy: -306.673103
where:
bonds (distance) C4'-P energy: -55.341
bonds (distance) P-C4' energy: -55.279
flat angles C4'-P-C4' energy: -64.390
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -82.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -977.505315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.505315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.505315 (E_RNA)
where:
Base-Base interactions energy: -654.430
where: short stacking energy: -297.016
Base-Backbone interact. energy: 0.426
local terms energy: -323.501347
where:
bonds (distance) C4'-P energy: -59.383
bonds (distance) P-C4' energy: -60.090
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -43.644
tors. eta vs tors. theta energy: -93.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -914.219098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.219098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.219098 (E_RNA)
where:
Base-Base interactions energy: -612.681
where: short stacking energy: -274.465
Base-Backbone interact. energy: -0.371
local terms energy: -301.166601
where:
bonds (distance) C4'-P energy: -55.384
bonds (distance) P-C4' energy: -57.668
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -45.760
tors. eta vs tors. theta energy: -81.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -882.594551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.594551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.594551 (E_RNA)
where:
Base-Base interactions energy: -607.394
where: short stacking energy: -269.596
Base-Backbone interact. energy: 0.492
local terms energy: -275.692654
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -79.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -763.439720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.439720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.439720 (E_RNA)
where:
Base-Base interactions energy: -494.209
where: short stacking energy: -226.598
Base-Backbone interact. energy: -1.504
local terms energy: -267.726757
where:
bonds (distance) C4'-P energy: -54.215
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -56.349
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -64.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -674.846415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.846415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.846415 (E_RNA)
where:
Base-Base interactions energy: -433.458
where: short stacking energy: -196.535
Base-Backbone interact. energy: -0.263
local terms energy: -241.125493
where:
bonds (distance) C4'-P energy: -50.340
bonds (distance) P-C4' energy: -47.618
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -52.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -576.435784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.435784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.435784 (E_RNA)
where:
Base-Base interactions energy: -355.547
where: short stacking energy: -161.956
Base-Backbone interact. energy: -1.426
local terms energy: -219.462529
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -55.709
flat angles C4'-P-C4' energy: -53.839
flat angles P-C4'-P energy: -32.794
tors. eta vs tors. theta energy: -30.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -557.904389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.904389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.904389 (E_RNA)
where:
Base-Base interactions energy: -352.643
where: short stacking energy: -150.077
Base-Backbone interact. energy: -1.042
local terms energy: -204.219490
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -52.136
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -33.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -424.745250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.745250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.745250 (E_RNA)
where:
Base-Base interactions energy: -224.046
where: short stacking energy: -115.223
Base-Backbone interact. energy: -0.641
local terms energy: -200.058842
where:
bonds (distance) C4'-P energy: -59.844
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -44.001
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -299.934260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.934260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.934260 (E_RNA)
where:
Base-Base interactions energy: -125.944
where: short stacking energy: -83.279
Base-Backbone interact. energy: -0.061
local terms energy: -173.928937
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -49.115
flat angles C4'-P-C4' energy: -42.830
flat angles P-C4'-P energy: -35.451
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -994.969994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.969994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.969994 (E_RNA)
where:
Base-Base interactions energy: -663.829
where: short stacking energy: -308.573
Base-Backbone interact. energy: -1.836
local terms energy: -329.305111
where:
bonds (distance) C4'-P energy: -56.501
bonds (distance) P-C4' energy: -60.006
flat angles C4'-P-C4' energy: -70.058
flat angles P-C4'-P energy: -47.535
tors. eta vs tors. theta energy: -95.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -979.417748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.417748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.417748 (E_RNA)
where:
Base-Base interactions energy: -681.216
where: short stacking energy: -287.158
Base-Backbone interact. energy: -1.351
local terms energy: -296.851279
where:
bonds (distance) C4'-P energy: -50.980
bonds (distance) P-C4' energy: -60.290
flat angles C4'-P-C4' energy: -58.969
flat angles P-C4'-P energy: -43.922
tors. eta vs tors. theta energy: -82.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -914.187948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.187948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.187948 (E_RNA)
where:
Base-Base interactions energy: -621.292
where: short stacking energy: -283.971
Base-Backbone interact. energy: -0.046
local terms energy: -292.849639
where:
bonds (distance) C4'-P energy: -59.568
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -60.024
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -84.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -875.601480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.601480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.601480 (E_RNA)
where:
Base-Base interactions energy: -577.458
where: short stacking energy: -253.945
Base-Backbone interact. energy: -1.047
local terms energy: -297.096930
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -54.163
flat angles P-C4'-P energy: -43.877
tors. eta vs tors. theta energy: -83.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -830.838574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.838574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.838574 (E_RNA)
where:
Base-Base interactions energy: -560.230
where: short stacking energy: -249.489
Base-Backbone interact. energy: -0.452
local terms energy: -270.156971
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -55.753
flat angles P-C4'-P energy: -33.885
tors. eta vs tors. theta energy: -82.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -723.451595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.451595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.451595 (E_RNA)
where:
Base-Base interactions energy: -473.940
where: short stacking energy: -190.327
Base-Backbone interact. energy: -1.336
local terms energy: -248.175191
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -57.892
flat angles C4'-P-C4' energy: -52.061
flat angles P-C4'-P energy: -38.139
tors. eta vs tors. theta energy: -47.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -601.632533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.632533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.632533 (E_RNA)
where:
Base-Base interactions energy: -396.662
where: short stacking energy: -170.081
Base-Backbone interact. energy: -1.960
local terms energy: -203.009767
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -51.814
flat angles C4'-P-C4' energy: -39.415
flat angles P-C4'-P energy: -26.591
tors. eta vs tors. theta energy: -41.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -507.768270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.768270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.768270 (E_RNA)
where:
Base-Base interactions energy: -332.981
where: short stacking energy: -174.741
Base-Backbone interact. energy: -0.209
local terms energy: -174.578327
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -30.344
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -25.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -269.493944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.493944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.493944 (E_RNA)
where:
Base-Base interactions energy: -104.279
where: short stacking energy: -96.036
Base-Backbone interact. energy: -0.222
local terms energy: -164.992836
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -50.473
flat angles P-C4'-P energy: -30.948
tors. eta vs tors. theta energy: 4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -324.152980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.152980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.152980 (E_RNA)
where:
Base-Base interactions energy: -151.395
where: short stacking energy: -104.537
Base-Backbone interact. energy: -0.841
local terms energy: -171.916191
where:
bonds (distance) C4'-P energy: -33.403
bonds (distance) P-C4' energy: -54.452
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -34.003
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -988.051480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.051480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.051480 (E_RNA)
where:
Base-Base interactions energy: -671.824
where: short stacking energy: -301.999
Base-Backbone interact. energy: -0.897
local terms energy: -315.330032
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -64.667
flat angles C4'-P-C4' energy: -66.963
flat angles P-C4'-P energy: -36.165
tors. eta vs tors. theta energy: -91.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -943.091089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.091089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.091089 (E_RNA)
where:
Base-Base interactions energy: -650.759
where: short stacking energy: -291.945
Base-Backbone interact. energy: -0.613
local terms energy: -291.719484
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -59.984
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -39.914
tors. eta vs tors. theta energy: -89.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -911.494902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.494902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.494902 (E_RNA)
where:
Base-Base interactions energy: -619.067
where: short stacking energy: -273.167
Base-Backbone interact. energy: -0.504
local terms energy: -291.924210
where:
bonds (distance) C4'-P energy: -55.923
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -50.957
flat angles P-C4'-P energy: -42.164
tors. eta vs tors. theta energy: -84.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -874.969794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.969794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.969794 (E_RNA)
where:
Base-Base interactions energy: -584.985
where: short stacking energy: -253.221
Base-Backbone interact. energy: -1.687
local terms energy: -288.298223
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -60.712
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -84.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -827.349609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.349609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.349609 (E_RNA)
where:
Base-Base interactions energy: -537.601
where: short stacking energy: -259.817
Base-Backbone interact. energy: 0.040
local terms energy: -289.787941
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -56.223
flat angles C4'-P-C4' energy: -57.824
flat angles P-C4'-P energy: -43.364
tors. eta vs tors. theta energy: -85.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -727.228149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.228149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.228149 (E_RNA)
where:
Base-Base interactions energy: -477.395
where: short stacking energy: -237.222
Base-Backbone interact. energy: -1.235
local terms energy: -248.598614
where:
bonds (distance) C4'-P energy: -42.117
bonds (distance) P-C4' energy: -56.748
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -69.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -617.048278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.048278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.048278 (E_RNA)
where:
Base-Base interactions energy: -394.780
where: short stacking energy: -166.197
Base-Backbone interact. energy: -0.203
local terms energy: -222.065796
where:
bonds (distance) C4'-P energy: -41.037
bonds (distance) P-C4' energy: -51.756
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -45.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -497.839326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.839326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.839326 (E_RNA)
where:
Base-Base interactions energy: -301.454
where: short stacking energy: -140.801
Base-Backbone interact. energy: -0.487
local terms energy: -195.897905
where:
bonds (distance) C4'-P energy: -45.769
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -44.108
flat angles P-C4'-P energy: -32.157
tors. eta vs tors. theta energy: -33.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -276.397916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.397916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.397916 (E_RNA)
where:
Base-Base interactions energy: -110.770
where: short stacking energy: -94.449
Base-Backbone interact. energy: -0.598
local terms energy: -165.029365
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -334.526987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.526987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.526987 (E_RNA)
where:
Base-Base interactions energy: -163.573
where: short stacking energy: -97.019
Base-Backbone interact. energy: 0.969
local terms energy: -171.922830
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -40.385
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: 4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -997.149108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.149108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.149108 (E_RNA)
where:
Base-Base interactions energy: -676.835
where: short stacking energy: -299.721
Base-Backbone interact. energy: -0.332
local terms energy: -319.981999
where:
bonds (distance) C4'-P energy: -52.850
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -66.637
flat angles P-C4'-P energy: -51.548
tors. eta vs tors. theta energy: -93.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -926.361970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.361970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.361970 (E_RNA)
where:
Base-Base interactions energy: -633.723
where: short stacking energy: -294.239
Base-Backbone interact. energy: -2.096
local terms energy: -290.542865
where:
bonds (distance) C4'-P energy: -52.385
bonds (distance) P-C4' energy: -52.442
flat angles C4'-P-C4' energy: -55.895
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -94.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -897.969869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.969869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.969869 (E_RNA)
where:
Base-Base interactions energy: -608.053
where: short stacking energy: -260.416
Base-Backbone interact. energy: -1.939
local terms energy: -287.978146
where:
bonds (distance) C4'-P energy: -56.992
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -63.724
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -77.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -879.324343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.324343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.324343 (E_RNA)
where:
Base-Base interactions energy: -589.457
where: short stacking energy: -268.172
Base-Backbone interact. energy: 1.859
local terms energy: -291.726437
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -68.784
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -75.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -813.272090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.272090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.272090 (E_RNA)
where:
Base-Base interactions energy: -522.429
where: short stacking energy: -227.033
Base-Backbone interact. energy: -1.875
local terms energy: -288.967740
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -55.628
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -77.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -715.124475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.124475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.124475 (E_RNA)
where:
Base-Base interactions energy: -477.459
where: short stacking energy: -219.571
Base-Backbone interact. energy: -2.195
local terms energy: -235.470764
where:
bonds (distance) C4'-P energy: -44.226
bonds (distance) P-C4' energy: -51.218
flat angles C4'-P-C4' energy: -65.769
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -58.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -599.704588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.704588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.704588 (E_RNA)
where:
Base-Base interactions energy: -385.038
where: short stacking energy: -175.770
Base-Backbone interact. energy: 0.666
local terms energy: -215.332295
where:
bonds (distance) C4'-P energy: -56.954
bonds (distance) P-C4' energy: -51.848
flat angles C4'-P-C4' energy: -55.793
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -37.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -463.570913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.570913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.570913 (E_RNA)
where:
Base-Base interactions energy: -288.010
where: short stacking energy: -136.784
Base-Backbone interact. energy: 0.013
local terms energy: -175.573740
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -49.839
flat angles P-C4'-P energy: -20.608
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -359.449963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.449963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.449963 (E_RNA)
where:
Base-Base interactions energy: -195.010
where: short stacking energy: -116.307
Base-Backbone interact. energy: -1.718
local terms energy: -162.722263
where:
bonds (distance) C4'-P energy: -46.201
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -239.278691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.278691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.278691 (E_RNA)
where:
Base-Base interactions energy: -79.948
where: short stacking energy: -50.521
Base-Backbone interact. energy: 1.316
local terms energy: -160.647017
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -996.082515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.082515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.082515 (E_RNA)
where:
Base-Base interactions energy: -665.574
where: short stacking energy: -314.573
Base-Backbone interact. energy: -2.148
local terms energy: -328.360482
where:
bonds (distance) C4'-P energy: -56.170
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -67.454
flat angles P-C4'-P energy: -44.667
tors. eta vs tors. theta energy: -96.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -931.466240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.466240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.466240 (E_RNA)
where:
Base-Base interactions energy: -647.685
where: short stacking energy: -259.360
Base-Backbone interact. energy: -0.996
local terms energy: -282.785155
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -62.412
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -75.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -896.702727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.702727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.702727 (E_RNA)
where:
Base-Base interactions energy: -620.245
where: short stacking energy: -296.823
Base-Backbone interact. energy: -2.578
local terms energy: -273.879061
where:
bonds (distance) C4'-P energy: -41.699
bonds (distance) P-C4' energy: -43.316
flat angles C4'-P-C4' energy: -60.378
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -88.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -896.392870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.392870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.392870 (E_RNA)
where:
Base-Base interactions energy: -607.064
where: short stacking energy: -262.805
Base-Backbone interact. energy: 0.039
local terms energy: -289.367249
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -86.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -841.866852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.866852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.866852 (E_RNA)
where:
Base-Base interactions energy: -566.499
where: short stacking energy: -256.791
Base-Backbone interact. energy: -0.511
local terms energy: -274.856914
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -77.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -671.229383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.229383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.229383 (E_RNA)
where:
Base-Base interactions energy: -412.319
where: short stacking energy: -209.747
Base-Backbone interact. energy: -2.681
local terms energy: -256.229339
where:
bonds (distance) C4'-P energy: -51.520
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -57.206
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: -53.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -641.143131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.143131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.143131 (E_RNA)
where:
Base-Base interactions energy: -408.760
where: short stacking energy: -186.614
Base-Backbone interact. energy: -0.531
local terms energy: -231.851801
where:
bonds (distance) C4'-P energy: -51.513
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -30.643
tors. eta vs tors. theta energy: -46.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -448.421956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.421956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.421956 (E_RNA)
where:
Base-Base interactions energy: -259.643
where: short stacking energy: -121.767
Base-Backbone interact. energy: -0.523
local terms energy: -188.255806
where:
bonds (distance) C4'-P energy: -51.771
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -54.745
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -393.989628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.989628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.989628 (E_RNA)
where:
Base-Base interactions energy: -203.576
where: short stacking energy: -112.845
Base-Backbone interact. energy: 1.535
local terms energy: -191.949343
where:
bonds (distance) C4'-P energy: -52.623
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -46.707
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -255.067186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.067186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.067186 (E_RNA)
where:
Base-Base interactions energy: -102.525
where: short stacking energy: -80.053
Base-Backbone interact. energy: 0.238
local terms energy: -152.780023
where:
bonds (distance) C4'-P energy: -44.417
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1000.135208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.135208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.135208 (E_RNA)
where:
Base-Base interactions energy: -681.886
where: short stacking energy: -307.030
Base-Backbone interact. energy: -0.075
local terms energy: -318.173662
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -59.437
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -98.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -923.930570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.930570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.930570 (E_RNA)
where:
Base-Base interactions energy: -623.536
where: short stacking energy: -272.163
Base-Backbone interact. energy: -0.393
local terms energy: -300.001596
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -60.141
flat angles C4'-P-C4' energy: -61.733
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: -79.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -939.226143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.226143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.226143 (E_RNA)
where:
Base-Base interactions energy: -638.717
where: short stacking energy: -280.694
Base-Backbone interact. energy: 0.643
local terms energy: -301.152967
where:
bonds (distance) C4'-P energy: -47.456
bonds (distance) P-C4' energy: -52.469
flat angles C4'-P-C4' energy: -66.139
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -90.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -881.281807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.281807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.281807 (E_RNA)
where:
Base-Base interactions energy: -586.091
where: short stacking energy: -276.024
Base-Backbone interact. energy: -0.903
local terms energy: -294.287345
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -57.960
flat angles C4'-P-C4' energy: -61.390
flat angles P-C4'-P energy: -35.115
tors. eta vs tors. theta energy: -88.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -817.795000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.795000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.795000 (E_RNA)
where:
Base-Base interactions energy: -546.218
where: short stacking energy: -247.334
Base-Backbone interact. energy: 1.349
local terms energy: -272.926019
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -38.937
flat angles C4'-P-C4' energy: -62.693
flat angles P-C4'-P energy: -38.547
tors. eta vs tors. theta energy: -78.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -635.163768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.163768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.163768 (E_RNA)
where:
Base-Base interactions energy: -414.127
where: short stacking energy: -202.291
Base-Backbone interact. energy: -2.027
local terms energy: -219.009845
where:
bonds (distance) C4'-P energy: -42.459
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -50.059
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -36.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -668.228603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.228603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.228603 (E_RNA)
where:
Base-Base interactions energy: -426.840
where: short stacking energy: -203.761
Base-Backbone interact. energy: -0.606
local terms energy: -240.782514
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -56.244
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -50.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -526.536865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.536865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.536865 (E_RNA)
where:
Base-Base interactions energy: -324.132
where: short stacking energy: -163.643
Base-Backbone interact. energy: -0.704
local terms energy: -201.700012
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -54.518
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -37.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -351.305463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.305463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.305463 (E_RNA)
where:
Base-Base interactions energy: -185.719
where: short stacking energy: -113.329
Base-Backbone interact. energy: 1.449
local terms energy: -167.035489
where:
bonds (distance) C4'-P energy: -49.242
bonds (distance) P-C4' energy: -47.249
flat angles C4'-P-C4' energy: -37.152
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -271.193763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.193763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.193763 (E_RNA)
where:
Base-Base interactions energy: -106.205
where: short stacking energy: -76.294
Base-Backbone interact. energy: -1.970
local terms energy: -163.018124
where:
bonds (distance) C4'-P energy: -54.423
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -982.382727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.382727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.382727 (E_RNA)
where:
Base-Base interactions energy: -669.908
where: short stacking energy: -294.424
Base-Backbone interact. energy: -1.617
local terms energy: -310.857589
where:
bonds (distance) C4'-P energy: -59.910
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -64.570
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -90.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -945.552025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.552025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.552025 (E_RNA)
where:
Base-Base interactions energy: -633.427
where: short stacking energy: -281.986
Base-Backbone interact. energy: -1.337
local terms energy: -310.788036
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -62.598
flat angles P-C4'-P energy: -51.057
tors. eta vs tors. theta energy: -87.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -921.682106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.682106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.682106 (E_RNA)
where:
Base-Base interactions energy: -630.913
where: short stacking energy: -271.126
Base-Backbone interact. energy: -3.148
local terms energy: -287.620688
where:
bonds (distance) C4'-P energy: -53.172
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -65.378
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: -81.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -865.071647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.071647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.071647 (E_RNA)
where:
Base-Base interactions energy: -582.422
where: short stacking energy: -258.052
Base-Backbone interact. energy: -0.768
local terms energy: -281.881370
where:
bonds (distance) C4'-P energy: -55.765
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -61.185
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -79.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -825.942387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.942387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.942387 (E_RNA)
where:
Base-Base interactions energy: -551.964
where: short stacking energy: -240.012
Base-Backbone interact. energy: -0.317
local terms energy: -273.660928
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -51.537
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -82.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -681.250859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.250859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.250859 (E_RNA)
where:
Base-Base interactions energy: -445.333
where: short stacking energy: -208.479
Base-Backbone interact. energy: 0.044
local terms energy: -235.961245
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -52.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -655.051277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.051277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.051277 (E_RNA)
where:
Base-Base interactions energy: -420.519
where: short stacking energy: -208.024
Base-Backbone interact. energy: 0.427
local terms energy: -234.958955
where:
bonds (distance) C4'-P energy: -49.231
bonds (distance) P-C4' energy: -41.457
flat angles C4'-P-C4' energy: -53.140
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -52.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -531.932654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.932654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.932654 (E_RNA)
where:
Base-Base interactions energy: -321.017
where: short stacking energy: -160.613
Base-Backbone interact. energy: -0.628
local terms energy: -210.288280
where:
bonds (distance) C4'-P energy: -47.798
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -44.387
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -41.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -364.982228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.982228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.982228 (E_RNA)
where:
Base-Base interactions energy: -206.031
where: short stacking energy: -95.455
Base-Backbone interact. energy: 0.577
local terms energy: -159.529073
where:
bonds (distance) C4'-P energy: -48.351
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -39.536
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: 1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -254.636964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.636964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.636964 (E_RNA)
where:
Base-Base interactions energy: -89.422
where: short stacking energy: -83.418
Base-Backbone interact. energy: -0.468
local terms energy: -164.746302
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: 1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1005.631963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.631963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.631963 (E_RNA)
where:
Base-Base interactions energy: -698.620
where: short stacking energy: -305.141
Base-Backbone interact. energy: -0.431
local terms energy: -306.580514
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -52.318
flat angles C4'-P-C4' energy: -65.090
flat angles P-C4'-P energy: -49.025
tors. eta vs tors. theta energy: -93.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -929.191178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.191178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.191178 (E_RNA)
where:
Base-Base interactions energy: -630.559
where: short stacking energy: -282.469
Base-Backbone interact. energy: -0.055
local terms energy: -298.576500
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -81.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -951.492071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.492071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.492071 (E_RNA)
where:
Base-Base interactions energy: -657.850
where: short stacking energy: -296.291
Base-Backbone interact. energy: -2.256
local terms energy: -291.386412
where:
bonds (distance) C4'-P energy: -52.206
bonds (distance) P-C4' energy: -52.769
flat angles C4'-P-C4' energy: -64.786
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -89.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -861.383141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.383141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.383141 (E_RNA)
where:
Base-Base interactions energy: -580.321
where: short stacking energy: -277.462
Base-Backbone interact. energy: -0.262
local terms energy: -280.799940
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -56.744
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -81.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -822.277897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.277897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.277897 (E_RNA)
where:
Base-Base interactions energy: -536.992
where: short stacking energy: -240.025
Base-Backbone interact. energy: -0.404
local terms energy: -284.881743
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -59.160
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -74.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -727.425538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.425538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.425538 (E_RNA)
where:
Base-Base interactions energy: -483.675
where: short stacking energy: -226.867
Base-Backbone interact. energy: -0.821
local terms energy: -242.929365
where:
bonds (distance) C4'-P energy: -46.204
bonds (distance) P-C4' energy: -47.537
flat angles C4'-P-C4' energy: -58.931
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -55.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -633.685298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.685298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.685298 (E_RNA)
where:
Base-Base interactions energy: -406.140
where: short stacking energy: -186.259
Base-Backbone interact. energy: 3.174
local terms energy: -230.719365
where:
bonds (distance) C4'-P energy: -42.748
bonds (distance) P-C4' energy: -51.495
flat angles C4'-P-C4' energy: -48.720
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -48.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -532.715893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.715893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.715893 (E_RNA)
where:
Base-Base interactions energy: -334.577
where: short stacking energy: -148.220
Base-Backbone interact. energy: -0.711
local terms energy: -197.427984
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -42.284
flat angles C4'-P-C4' energy: -47.340
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -31.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -267.486527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.486527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.486527 (E_RNA)
where:
Base-Base interactions energy: -93.589
where: short stacking energy: -78.642
Base-Backbone interact. energy: 0.946
local terms energy: -174.844178
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -47.934
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -343.494493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.494493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.494493 (E_RNA)
where:
Base-Base interactions energy: -182.480
where: short stacking energy: -94.688
Base-Backbone interact. energy: 2.199
local terms energy: -163.213522
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -54.335
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: 9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1009.053059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.053059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.053059 (E_RNA)
where:
Base-Base interactions energy: -699.206
where: short stacking energy: -307.314
Base-Backbone interact. energy: -0.744
local terms energy: -309.102420
where:
bonds (distance) C4'-P energy: -53.182
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -65.259
flat angles P-C4'-P energy: -51.886
tors. eta vs tors. theta energy: -93.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -949.906930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.906930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.906930 (E_RNA)
where:
Base-Base interactions energy: -644.420
where: short stacking energy: -288.788
Base-Backbone interact. energy: -0.160
local terms energy: -305.327252
where:
bonds (distance) C4'-P energy: -57.881
bonds (distance) P-C4' energy: -61.792
flat angles C4'-P-C4' energy: -65.102
flat angles P-C4'-P energy: -40.271
tors. eta vs tors. theta energy: -80.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -934.328332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.328332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.328332 (E_RNA)
where:
Base-Base interactions energy: -646.126
where: short stacking energy: -280.645
Base-Backbone interact. energy: -1.113
local terms energy: -287.088484
where:
bonds (distance) C4'-P energy: -57.084
bonds (distance) P-C4' energy: -56.298
flat angles C4'-P-C4' energy: -58.023
flat angles P-C4'-P energy: -28.964
tors. eta vs tors. theta energy: -86.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -854.747500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.747500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.747500 (E_RNA)
where:
Base-Base interactions energy: -566.132
where: short stacking energy: -254.321
Base-Backbone interact. energy: 0.793
local terms energy: -289.408273
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -58.576
flat angles P-C4'-P energy: -31.724
tors. eta vs tors. theta energy: -80.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -821.846610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.846610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.846610 (E_RNA)
where:
Base-Base interactions energy: -558.468
where: short stacking energy: -240.746
Base-Backbone interact. energy: -0.263
local terms energy: -263.116211
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -49.614
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -34.811
tors. eta vs tors. theta energy: -63.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -742.776118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.776118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.776118 (E_RNA)
where:
Base-Base interactions energy: -480.027
where: short stacking energy: -219.913
Base-Backbone interact. energy: -1.052
local terms energy: -261.697980
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -47.670
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -65.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -632.350316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.350316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.350316 (E_RNA)
where:
Base-Base interactions energy: -394.814
where: short stacking energy: -184.224
Base-Backbone interact. energy: -1.238
local terms energy: -236.298753
where:
bonds (distance) C4'-P energy: -49.039
bonds (distance) P-C4' energy: -53.276
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -34.156
tors. eta vs tors. theta energy: -48.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -533.170366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.170366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.170366 (E_RNA)
where:
Base-Base interactions energy: -326.199
where: short stacking energy: -153.623
Base-Backbone interact. energy: 0.453
local terms energy: -207.424099
where:
bonds (distance) C4'-P energy: -43.668
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -48.071
flat angles P-C4'-P energy: -24.573
tors. eta vs tors. theta energy: -37.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -289.066523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.066523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.066523 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -77.365
Base-Backbone interact. energy: -1.541
local terms energy: -156.889733
where:
bonds (distance) C4'-P energy: -44.890
bonds (distance) P-C4' energy: -59.239
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: 9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -297.121476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.121476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.121476 (E_RNA)
where:
Base-Base interactions energy: -151.608
where: short stacking energy: -91.067
Base-Backbone interact. energy: 0.280
local terms energy: -145.792917
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -46.094
flat angles C4'-P-C4' energy: -39.138
flat angles P-C4'-P energy: -19.947
tors. eta vs tors. theta energy: 3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -983.002885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.002885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.002885 (E_RNA)
where:
Base-Base interactions energy: -669.584
where: short stacking energy: -319.686
Base-Backbone interact. energy: -0.546
local terms energy: -312.873237
where:
bonds (distance) C4'-P energy: -52.469
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -66.215
flat angles P-C4'-P energy: -47.955
tors. eta vs tors. theta energy: -94.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -959.668979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.668979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.668979 (E_RNA)
where:
Base-Base interactions energy: -655.869
where: short stacking energy: -285.823
Base-Backbone interact. energy: -1.081
local terms energy: -302.718465
where:
bonds (distance) C4'-P energy: -57.741
bonds (distance) P-C4' energy: -53.853
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: -84.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -916.639943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.639943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.639943 (E_RNA)
where:
Base-Base interactions energy: -633.592
where: short stacking energy: -277.842
Base-Backbone interact. energy: -1.189
local terms energy: -281.859580
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -58.618
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -81.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -856.481110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.481110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.481110 (E_RNA)
where:
Base-Base interactions energy: -576.923
where: short stacking energy: -265.584
Base-Backbone interact. energy: -1.053
local terms energy: -278.504893
where:
bonds (distance) C4'-P energy: -47.333
bonds (distance) P-C4' energy: -44.731
flat angles C4'-P-C4' energy: -59.277
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -82.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -849.423791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.423791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.423791 (E_RNA)
where:
Base-Base interactions energy: -581.863
where: short stacking energy: -243.683
Base-Backbone interact. energy: -0.108
local terms energy: -267.452548
where:
bonds (distance) C4'-P energy: -49.376
bonds (distance) P-C4' energy: -54.761
flat angles C4'-P-C4' energy: -54.028
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -75.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -738.314357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.314357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.314357 (E_RNA)
where:
Base-Base interactions energy: -494.381
where: short stacking energy: -219.272
Base-Backbone interact. energy: -1.665
local terms energy: -242.267842
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -51.138
flat angles C4'-P-C4' energy: -49.751
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -60.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -637.637812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.637812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.637812 (E_RNA)
where:
Base-Base interactions energy: -403.358
where: short stacking energy: -176.405
Base-Backbone interact. energy: -0.017
local terms energy: -234.263411
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -51.768
flat angles C4'-P-C4' energy: -53.402
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -47.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -611.001825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.001825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.001825 (E_RNA)
where:
Base-Base interactions energy: -392.396
where: short stacking energy: -172.563
Base-Backbone interact. energy: -1.949
local terms energy: -216.657414
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -47.253
flat angles P-C4'-P energy: -29.320
tors. eta vs tors. theta energy: -39.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -356.892600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.892600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.892600 (E_RNA)
where:
Base-Base interactions energy: -194.504
where: short stacking energy: -112.209
Base-Backbone interact. energy: 0.606
local terms energy: -162.994492
where:
bonds (distance) C4'-P energy: -38.562
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -47.373
flat angles P-C4'-P energy: -29.017
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -269.839633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.839633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.839633 (E_RNA)
where:
Base-Base interactions energy: -114.097
where: short stacking energy: -85.665
Base-Backbone interact. energy: -2.597
local terms energy: -153.145560
where:
bonds (distance) C4'-P energy: -38.182
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -37.998
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: 9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -983.123867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.123867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.123867 (E_RNA)
where:
Base-Base interactions energy: -673.878
where: short stacking energy: -294.538
Base-Backbone interact. energy: -1.989
local terms energy: -307.257283
where:
bonds (distance) C4'-P energy: -57.114
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -65.039
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -85.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -934.256876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.256876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.256876 (E_RNA)
where:
Base-Base interactions energy: -649.231
where: short stacking energy: -283.060
Base-Backbone interact. energy: -1.279
local terms energy: -283.746639
where:
bonds (distance) C4'-P energy: -59.255
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -49.526
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: -81.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -921.654864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.654864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.654864 (E_RNA)
where:
Base-Base interactions energy: -632.746
where: short stacking energy: -287.718
Base-Backbone interact. energy: 0.402
local terms energy: -289.311426
where:
bonds (distance) C4'-P energy: -45.932
bonds (distance) P-C4' energy: -54.759
flat angles C4'-P-C4' energy: -65.877
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -86.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -841.477187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.477187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.477187 (E_RNA)
where:
Base-Base interactions energy: -592.182
where: short stacking energy: -265.306
Base-Backbone interact. energy: 0.133
local terms energy: -249.428270
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -68.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -838.178209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.178209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.178209 (E_RNA)
where:
Base-Base interactions energy: -555.010
where: short stacking energy: -248.479
Base-Backbone interact. energy: -1.431
local terms energy: -281.737078
where:
bonds (distance) C4'-P energy: -55.238
bonds (distance) P-C4' energy: -48.800
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -32.886
tors. eta vs tors. theta energy: -80.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -707.645610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.645610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.645610 (E_RNA)
where:
Base-Base interactions energy: -459.701
where: short stacking energy: -208.108
Base-Backbone interact. energy: -0.961
local terms energy: -246.984593
where:
bonds (distance) C4'-P energy: -52.732
bonds (distance) P-C4' energy: -44.126
flat angles C4'-P-C4' energy: -52.066
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -50.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -604.670469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.670469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.670469 (E_RNA)
where:
Base-Base interactions energy: -404.351
where: short stacking energy: -195.346
Base-Backbone interact. energy: -0.635
local terms energy: -199.684335
where:
bonds (distance) C4'-P energy: -40.191
bonds (distance) P-C4' energy: -42.189
flat angles C4'-P-C4' energy: -49.625
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -41.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -581.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.400134 (E_RNA)
where:
Base-Base interactions energy: -368.498
where: short stacking energy: -161.740
Base-Backbone interact. energy: -0.675
local terms energy: -212.226581
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -51.734
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -35.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -425.608941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.608941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.608941 (E_RNA)
where:
Base-Base interactions energy: -234.378
where: short stacking energy: -117.358
Base-Backbone interact. energy: -0.839
local terms energy: -190.391232
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -39.519
flat angles P-C4'-P energy: -26.209
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -232.347519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.347519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.347519 (E_RNA)
where:
Base-Base interactions energy: -82.128
where: short stacking energy: -67.230
Base-Backbone interact. energy: 0.202
local terms energy: -150.422047
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -50.444
flat angles C4'-P-C4' energy: -50.093
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: 10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -994.224541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.224541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.224541 (E_RNA)
where:
Base-Base interactions energy: -681.602
where: short stacking energy: -313.403
Base-Backbone interact. energy: -0.251
local terms energy: -312.371542
where:
bonds (distance) C4'-P energy: -51.488
bonds (distance) P-C4' energy: -55.598
flat angles C4'-P-C4' energy: -63.530
flat angles P-C4'-P energy: -47.634
tors. eta vs tors. theta energy: -94.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -935.477005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.477005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.477005 (E_RNA)
where:
Base-Base interactions energy: -641.916
where: short stacking energy: -277.466
Base-Backbone interact. energy: -1.546
local terms energy: -292.015106
where:
bonds (distance) C4'-P energy: -46.007
bonds (distance) P-C4' energy: -63.199
flat angles C4'-P-C4' energy: -63.596
flat angles P-C4'-P energy: -34.748
tors. eta vs tors. theta energy: -84.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -894.135628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.135628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.135628 (E_RNA)
where:
Base-Base interactions energy: -607.458
where: short stacking energy: -284.032
Base-Backbone interact. energy: -1.077
local terms energy: -285.600647
where:
bonds (distance) C4'-P energy: -50.087
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -57.200
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -81.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -848.758640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.758640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.758640 (E_RNA)
where:
Base-Base interactions energy: -576.220
where: short stacking energy: -250.332
Base-Backbone interact. energy: -0.631
local terms energy: -271.907340
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -53.100
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -68.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -868.554981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.554981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.554981 (E_RNA)
where:
Base-Base interactions energy: -589.680
where: short stacking energy: -271.413
Base-Backbone interact. energy: 0.121
local terms energy: -278.995879
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -48.185
flat angles C4'-P-C4' energy: -60.407
flat angles P-C4'-P energy: -37.114
tors. eta vs tors. theta energy: -84.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -716.802769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.802769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.802769 (E_RNA)
where:
Base-Base interactions energy: -471.007
where: short stacking energy: -217.408
Base-Backbone interact. energy: 0.459
local terms energy: -246.254532
where:
bonds (distance) C4'-P energy: -38.824
bonds (distance) P-C4' energy: -54.736
flat angles C4'-P-C4' energy: -62.493
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -53.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -631.132703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.132703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.132703 (E_RNA)
where:
Base-Base interactions energy: -399.519
where: short stacking energy: -190.052
Base-Backbone interact. energy: -1.815
local terms energy: -229.798007
where:
bonds (distance) C4'-P energy: -46.626
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -54.035
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -52.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -571.584575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.584575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.584575 (E_RNA)
where:
Base-Base interactions energy: -365.970
where: short stacking energy: -165.146
Base-Backbone interact. energy: -1.382
local terms energy: -204.232561
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -58.618
flat angles C4'-P-C4' energy: -41.403
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -35.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -427.148888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.148888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.148888 (E_RNA)
where:
Base-Base interactions energy: -242.388
where: short stacking energy: -128.871
Base-Backbone interact. energy: 1.358
local terms energy: -186.118801
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -48.413
flat angles P-C4'-P energy: -25.033
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -242.446320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.446320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.446320 (E_RNA)
where:
Base-Base interactions energy: -101.036
where: short stacking energy: -83.001
Base-Backbone interact. energy: 7.675
local terms energy: -149.084887
where:
bonds (distance) C4'-P energy: -47.070
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -38.271
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: 6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -999.589206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.589206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.589206 (E_RNA)
where:
Base-Base interactions energy: -676.440
where: short stacking energy: -320.235
Base-Backbone interact. energy: -0.908
local terms energy: -322.241040
where:
bonds (distance) C4'-P energy: -59.850
bonds (distance) P-C4' energy: -60.607
flat angles C4'-P-C4' energy: -67.331
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -93.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -937.824079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.824079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.824079 (E_RNA)
where:
Base-Base interactions energy: -633.503
where: short stacking energy: -273.165
Base-Backbone interact. energy: -0.732
local terms energy: -303.588150
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -49.781
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -43.803
tors. eta vs tors. theta energy: -90.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -898.495241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.495241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.495241 (E_RNA)
where:
Base-Base interactions energy: -622.307
where: short stacking energy: -262.500
Base-Backbone interact. energy: -0.691
local terms energy: -275.497055
where:
bonds (distance) C4'-P energy: -56.967
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -37.423
tors. eta vs tors. theta energy: -79.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -881.948045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.948045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.948045 (E_RNA)
where:
Base-Base interactions energy: -609.719
where: short stacking energy: -265.013
Base-Backbone interact. energy: -1.604
local terms energy: -270.624976
where:
bonds (distance) C4'-P energy: -44.437
bonds (distance) P-C4' energy: -46.584
flat angles C4'-P-C4' energy: -53.665
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -80.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -813.001377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.001377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.001377 (E_RNA)
where:
Base-Base interactions energy: -543.408
where: short stacking energy: -240.421
Base-Backbone interact. energy: -2.000
local terms energy: -267.594119
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -61.346
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -71.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -637.325310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.325310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.325310 (E_RNA)
where:
Base-Base interactions energy: -395.183
where: short stacking energy: -203.678
Base-Backbone interact. energy: -0.783
local terms energy: -241.358764
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -58.375
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -54.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -652.577751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.577751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.577751 (E_RNA)
where:
Base-Base interactions energy: -426.561
where: short stacking energy: -188.308
Base-Backbone interact. energy: -1.102
local terms energy: -224.914288
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -55.438
flat angles P-C4'-P energy: -29.832
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -563.585719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.585719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.585719 (E_RNA)
where:
Base-Base interactions energy: -356.528
where: short stacking energy: -163.030
Base-Backbone interact. energy: 1.624
local terms energy: -208.681914
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -51.008
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -38.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -421.313765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.313765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.313765 (E_RNA)
where:
Base-Base interactions energy: -255.717
where: short stacking energy: -116.077
Base-Backbone interact. energy: 5.042
local terms energy: -170.639081
where:
bonds (distance) C4'-P energy: -49.978
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -40.431
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -8.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -260.614951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.614951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.614951 (E_RNA)
where:
Base-Base interactions energy: -102.398
where: short stacking energy: -65.969
Base-Backbone interact. energy: -2.354
local terms energy: -155.862348
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -53.542
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -993.734372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.734372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.734372 (E_RNA)
where:
Base-Base interactions energy: -667.129
where: short stacking energy: -298.555
Base-Backbone interact. energy: 0.511
local terms energy: -327.116224
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -58.389
flat angles C4'-P-C4' energy: -68.756
flat angles P-C4'-P energy: -45.880
tors. eta vs tors. theta energy: -91.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -956.839813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.839813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.839813 (E_RNA)
where:
Base-Base interactions energy: -643.957
where: short stacking energy: -280.083
Base-Backbone interact. energy: -1.419
local terms energy: -311.463362
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -60.515
flat angles C4'-P-C4' energy: -62.463
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -92.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -922.383262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.383262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.383262 (E_RNA)
where:
Base-Base interactions energy: -624.081
where: short stacking energy: -268.806
Base-Backbone interact. energy: -0.400
local terms energy: -297.902094
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -86.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -878.242882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.242882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.242882 (E_RNA)
where:
Base-Base interactions energy: -603.642
where: short stacking energy: -272.934
Base-Backbone interact. energy: 0.433
local terms energy: -275.034652
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -45.904
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -84.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -826.139467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.139467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.139467 (E_RNA)
where:
Base-Base interactions energy: -573.640
where: short stacking energy: -261.672
Base-Backbone interact. energy: 0.110
local terms energy: -252.609320
where:
bonds (distance) C4'-P energy: -50.590
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -53.269
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -72.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -670.118782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.118782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.118782 (E_RNA)
where:
Base-Base interactions energy: -437.318
where: short stacking energy: -201.840
Base-Backbone interact. energy: -0.539
local terms energy: -232.261553
where:
bonds (distance) C4'-P energy: -56.258
bonds (distance) P-C4' energy: -38.681
flat angles C4'-P-C4' energy: -55.995
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -52.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -605.475206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.475206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.475206 (E_RNA)
where:
Base-Base interactions energy: -367.841
where: short stacking energy: -169.415
Base-Backbone interact. energy: -1.505
local terms energy: -236.129579
where:
bonds (distance) C4'-P energy: -50.567
bonds (distance) P-C4' energy: -50.841
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -29.841
tors. eta vs tors. theta energy: -46.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -595.672494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.672494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.672494 (E_RNA)
where:
Base-Base interactions energy: -381.545
where: short stacking energy: -179.456
Base-Backbone interact. energy: 4.826
local terms energy: -218.952643
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -40.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -460.468977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.468977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.468977 (E_RNA)
where:
Base-Base interactions energy: -280.302
where: short stacking energy: -132.070
Base-Backbone interact. energy: -1.560
local terms energy: -178.607460
where:
bonds (distance) C4'-P energy: -51.994
bonds (distance) P-C4' energy: -45.403
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -254.628637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.628637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.628637 (E_RNA)
where:
Base-Base interactions energy: -92.750
where: short stacking energy: -68.422
Base-Backbone interact. energy: 0.566
local terms energy: -162.444115
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -39.867
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -979.672997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.672997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.672997 (E_RNA)
where:
Base-Base interactions energy: -662.599
where: short stacking energy: -285.979
Base-Backbone interact. energy: -0.044
local terms energy: -317.030307
where:
bonds (distance) C4'-P energy: -59.967
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -62.386
flat angles P-C4'-P energy: -44.313
tors. eta vs tors. theta energy: -95.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -948.298366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.298366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.298366 (E_RNA)
where:
Base-Base interactions energy: -637.303
where: short stacking energy: -282.684
Base-Backbone interact. energy: -1.324
local terms energy: -309.671433
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -56.011
flat angles C4'-P-C4' energy: -63.462
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -89.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -895.875725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.875725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.875725 (E_RNA)
where:
Base-Base interactions energy: -600.718
where: short stacking energy: -268.485
Base-Backbone interact. energy: -0.392
local terms energy: -294.765761
where:
bonds (distance) C4'-P energy: -54.144
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -58.910
flat angles P-C4'-P energy: -42.598
tors. eta vs tors. theta energy: -88.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -870.733631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.733631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.733631 (E_RNA)
where:
Base-Base interactions energy: -605.287
where: short stacking energy: -260.288
Base-Backbone interact. energy: 1.258
local terms energy: -266.705415
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -56.349
flat angles P-C4'-P energy: -30.341
tors. eta vs tors. theta energy: -76.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -828.522186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.522186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.522186 (E_RNA)
where:
Base-Base interactions energy: -551.244
where: short stacking energy: -253.886
Base-Backbone interact. energy: -0.360
local terms energy: -276.917957
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -78.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -650.500444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.500444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.500444 (E_RNA)
where:
Base-Base interactions energy: -424.512
where: short stacking energy: -196.777
Base-Backbone interact. energy: -2.848
local terms energy: -223.140786
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -50.023
flat angles C4'-P-C4' energy: -42.387
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -53.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -569.737767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.737767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.737767 (E_RNA)
where:
Base-Base interactions energy: -350.221
where: short stacking energy: -178.337
Base-Backbone interact. energy: -0.687
local terms energy: -218.830005
where:
bonds (distance) C4'-P energy: -47.747
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -50.195
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -32.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -589.821895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.821895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.821895 (E_RNA)
where:
Base-Base interactions energy: -366.709
where: short stacking energy: -174.123
Base-Backbone interact. energy: -2.588
local terms energy: -220.525247
where:
bonds (distance) C4'-P energy: -46.034
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -45.461
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -42.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -505.580163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.580163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.580163 (E_RNA)
where:
Base-Base interactions energy: -279.668
where: short stacking energy: -138.818
Base-Backbone interact. energy: -0.512
local terms energy: -225.400367
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -58.992
flat angles C4'-P-C4' energy: -54.872
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -240.343210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.343210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.343210 (E_RNA)
where:
Base-Base interactions energy: -88.687
where: short stacking energy: -80.938
Base-Backbone interact. energy: 3.208
local terms energy: -154.864411
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -57.169
flat angles C4'-P-C4' energy: -35.018
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -991.735624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.735624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.735624 (E_RNA)
where:
Base-Base interactions energy: -678.652
where: short stacking energy: -313.816
Base-Backbone interact. energy: -0.067
local terms energy: -313.016046
where:
bonds (distance) C4'-P energy: -49.973
bonds (distance) P-C4' energy: -58.515
flat angles C4'-P-C4' energy: -62.946
flat angles P-C4'-P energy: -47.725
tors. eta vs tors. theta energy: -93.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -973.769428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.769428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.769428 (E_RNA)
where:
Base-Base interactions energy: -664.923
where: short stacking energy: -304.476
Base-Backbone interact. energy: -1.345
local terms energy: -307.501576
where:
bonds (distance) C4'-P energy: -46.088
bonds (distance) P-C4' energy: -62.259
flat angles C4'-P-C4' energy: -73.693
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -84.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -900.611840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.611840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.611840 (E_RNA)
where:
Base-Base interactions energy: -621.904
where: short stacking energy: -261.601
Base-Backbone interact. energy: 0.287
local terms energy: -278.994769
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -83.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -864.186712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.186712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.186712 (E_RNA)
where:
Base-Base interactions energy: -594.871
where: short stacking energy: -271.956
Base-Backbone interact. energy: -0.317
local terms energy: -268.999123
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -75.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -815.212246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.212246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.212246 (E_RNA)
where:
Base-Base interactions energy: -534.831
where: short stacking energy: -254.114
Base-Backbone interact. energy: -1.962
local terms energy: -278.418815
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -81.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -671.280276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.280276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.280276 (E_RNA)
where:
Base-Base interactions energy: -435.809
where: short stacking energy: -174.900
Base-Backbone interact. energy: -0.270
local terms energy: -235.201261
where:
bonds (distance) C4'-P energy: -59.409
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -629.884355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.884355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.884355 (E_RNA)
where:
Base-Base interactions energy: -415.989
where: short stacking energy: -192.195
Base-Backbone interact. energy: -2.526
local terms energy: -211.369283
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -45.258
flat angles C4'-P-C4' energy: -53.007
flat angles P-C4'-P energy: -33.223
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -562.755630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.755630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.755630 (E_RNA)
where:
Base-Base interactions energy: -332.950
where: short stacking energy: -146.131
Base-Backbone interact. energy: 2.213
local terms energy: -232.018551
where:
bonds (distance) C4'-P energy: -58.470
bonds (distance) P-C4' energy: -58.111
flat angles C4'-P-C4' energy: -41.502
flat angles P-C4'-P energy: -40.946
tors. eta vs tors. theta energy: -32.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -459.100958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.100958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.100958 (E_RNA)
where:
Base-Base interactions energy: -281.475
where: short stacking energy: -143.199
Base-Backbone interact. energy: 3.562
local terms energy: -181.187732
where:
bonds (distance) C4'-P energy: -53.015
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -44.447
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -270.776024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.776024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.776024 (E_RNA)
where:
Base-Base interactions energy: -83.858
where: short stacking energy: -79.690
Base-Backbone interact. energy: -2.179
local terms energy: -184.739326
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -46.070
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -32.624
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -994.959950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.959950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.959950 (E_RNA)
where:
Base-Base interactions energy: -682.753
where: short stacking energy: -317.023
Base-Backbone interact. energy: -2.301
local terms energy: -309.905885
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -54.481
flat angles C4'-P-C4' energy: -63.776
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -96.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -956.565279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.565279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.565279 (E_RNA)
where:
Base-Base interactions energy: -658.627
where: short stacking energy: -277.613
Base-Backbone interact. energy: -1.778
local terms energy: -296.159653
where:
bonds (distance) C4'-P energy: -60.361
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -84.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -911.536376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.536376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.536376 (E_RNA)
where:
Base-Base interactions energy: -636.321
where: short stacking energy: -270.998
Base-Backbone interact. energy: 0.267
local terms energy: -275.482254
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -54.606
flat angles C4'-P-C4' energy: -56.316
flat angles P-C4'-P energy: -31.583
tors. eta vs tors. theta energy: -77.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -872.939061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.939061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.939061 (E_RNA)
where:
Base-Base interactions energy: -595.650
where: short stacking energy: -256.286
Base-Backbone interact. energy: -0.363
local terms energy: -276.925982
where:
bonds (distance) C4'-P energy: -54.523
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -53.618
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: -79.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -816.279617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.279617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.279617 (E_RNA)
where:
Base-Base interactions energy: -544.552
where: short stacking energy: -251.820
Base-Backbone interact. energy: -1.808
local terms energy: -269.919936
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -52.040
flat angles P-C4'-P energy: -35.869
tors. eta vs tors. theta energy: -74.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -687.251276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.251276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.251276 (E_RNA)
where:
Base-Base interactions energy: -429.674
where: short stacking energy: -209.441
Base-Backbone interact. energy: -1.562
local terms energy: -256.015729
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -56.917
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -55.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -596.745656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.745656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.745656 (E_RNA)
where:
Base-Base interactions energy: -360.945
where: short stacking energy: -158.183
Base-Backbone interact. energy: -1.820
local terms energy: -233.981312
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -42.320
tors. eta vs tors. theta energy: -32.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -570.450576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.450576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.450576 (E_RNA)
where:
Base-Base interactions energy: -353.254
where: short stacking energy: -162.590
Base-Backbone interact. energy: 2.940
local terms energy: -220.136940
where:
bonds (distance) C4'-P energy: -51.126
bonds (distance) P-C4' energy: -53.140
flat angles C4'-P-C4' energy: -53.357
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -478.632624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.632624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.632624 (E_RNA)
where:
Base-Base interactions energy: -284.434
where: short stacking energy: -151.848
Base-Backbone interact. energy: -1.032
local terms energy: -193.166947
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -46.701
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -30.281
tors. eta vs tors. theta energy: -25.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -240.385462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.385462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.385462 (E_RNA)
where:
Base-Base interactions energy: -86.336
where: short stacking energy: -73.655
Base-Backbone interact. energy: -1.305
local terms energy: -152.744816
where:
bonds (distance) C4'-P energy: -41.079
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: 8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1008.477816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.477816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.477816 (E_RNA)
where:
Base-Base interactions energy: -683.067
where: short stacking energy: -311.707
Base-Backbone interact. energy: -1.431
local terms energy: -323.979945
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -62.142
flat angles C4'-P-C4' energy: -63.154
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -94.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -973.021777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.021777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.021777 (E_RNA)
where:
Base-Base interactions energy: -659.749
where: short stacking energy: -290.428
Base-Backbone interact. energy: 0.446
local terms energy: -313.719459
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -60.120
flat angles C4'-P-C4' energy: -64.144
flat angles P-C4'-P energy: -46.490
tors. eta vs tors. theta energy: -90.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -923.666605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.666605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.666605 (E_RNA)
where:
Base-Base interactions energy: -632.183
where: short stacking energy: -256.191
Base-Backbone interact. energy: -2.481
local terms energy: -289.002887
where:
bonds (distance) C4'-P energy: -48.868
bonds (distance) P-C4' energy: -50.889
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -45.896
tors. eta vs tors. theta energy: -83.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -889.664956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.664956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.664956 (E_RNA)
where:
Base-Base interactions energy: -615.828
where: short stacking energy: -264.250
Base-Backbone interact. energy: -2.945
local terms energy: -270.892307
where:
bonds (distance) C4'-P energy: -47.036
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -53.701
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -72.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -778.085521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.085521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.085521 (E_RNA)
where:
Base-Base interactions energy: -532.029
where: short stacking energy: -246.300
Base-Backbone interact. energy: -1.487
local terms energy: -244.569977
where:
bonds (distance) C4'-P energy: -40.707
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -72.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -688.547782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.547782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.547782 (E_RNA)
where:
Base-Base interactions energy: -450.439
where: short stacking energy: -211.654
Base-Backbone interact. energy: -1.803
local terms energy: -236.306140
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -61.287
flat angles C4'-P-C4' energy: -43.707
flat angles P-C4'-P energy: -37.395
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -620.566922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.566922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.566922 (E_RNA)
where:
Base-Base interactions energy: -370.792
where: short stacking energy: -156.496
Base-Backbone interact. energy: -0.944
local terms energy: -248.830692
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -42.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -595.666497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.666497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.666497 (E_RNA)
where:
Base-Base interactions energy: -356.011
where: short stacking energy: -166.292
Base-Backbone interact. energy: -0.831
local terms energy: -238.824072
where:
bonds (distance) C4'-P energy: -46.557
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -60.825
flat angles P-C4'-P energy: -38.245
tors. eta vs tors. theta energy: -43.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -446.011037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.011037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.011037 (E_RNA)
where:
Base-Base interactions energy: -250.046
where: short stacking energy: -132.574
Base-Backbone interact. energy: -0.270
local terms energy: -195.695234
where:
bonds (distance) C4'-P energy: -50.920
bonds (distance) P-C4' energy: -51.037
flat angles C4'-P-C4' energy: -47.995
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -249.292692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.292692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.292692 (E_RNA)
where:
Base-Base interactions energy: -95.419
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.233
local terms energy: -153.641207
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: 4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -987.678666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.678666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.678666 (E_RNA)
where:
Base-Base interactions energy: -675.908
where: short stacking energy: -298.344
Base-Backbone interact. energy: 0.526
local terms energy: -312.296223
where:
bonds (distance) C4'-P energy: -49.989
bonds (distance) P-C4' energy: -61.314
flat angles C4'-P-C4' energy: -69.427
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -90.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -962.684236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.684236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.684236 (E_RNA)
where:
Base-Base interactions energy: -644.232
where: short stacking energy: -277.129
Base-Backbone interact. energy: -0.747
local terms energy: -317.704469
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -63.726
flat angles C4'-P-C4' energy: -66.818
flat angles P-C4'-P energy: -48.581
tors. eta vs tors. theta energy: -85.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -902.471042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.471042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.471042 (E_RNA)
where:
Base-Base interactions energy: -623.247
where: short stacking energy: -260.555
Base-Backbone interact. energy: -0.331
local terms energy: -278.893519
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -59.185
flat angles C4'-P-C4' energy: -54.023
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -78.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -873.940244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.940244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.940244 (E_RNA)
where:
Base-Base interactions energy: -582.031
where: short stacking energy: -255.695
Base-Backbone interact. energy: 0.497
local terms energy: -292.406865
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -63.314
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -74.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -813.496855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.496855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.496855 (E_RNA)
where:
Base-Base interactions energy: -546.211
where: short stacking energy: -254.226
Base-Backbone interact. energy: 0.827
local terms energy: -268.113021
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -73.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -704.056450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.056450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.056450 (E_RNA)
where:
Base-Base interactions energy: -456.287
where: short stacking energy: -200.514
Base-Backbone interact. energy: -0.745
local terms energy: -247.025320
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -55.498
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: -53.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -603.373010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.373010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.373010 (E_RNA)
where:
Base-Base interactions energy: -380.071
where: short stacking energy: -180.881
Base-Backbone interact. energy: 0.029
local terms energy: -223.330569
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -38.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -590.047805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.047805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.047805 (E_RNA)
where:
Base-Base interactions energy: -365.478
where: short stacking energy: -159.581
Base-Backbone interact. energy: -1.210
local terms energy: -223.359756
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -46.181
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -39.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -420.349877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.349877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.349877 (E_RNA)
where:
Base-Base interactions energy: -222.824
where: short stacking energy: -99.969
Base-Backbone interact. energy: -0.005
local terms energy: -197.520730
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -56.327
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -260.884703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.884703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.884703 (E_RNA)
where:
Base-Base interactions energy: -108.568
where: short stacking energy: -62.816
Base-Backbone interact. energy: 1.490
local terms energy: -153.806350
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -52.737
flat angles C4'-P-C4' energy: -36.398
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: 5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1001.250118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.250118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.250118 (E_RNA)
where:
Base-Base interactions energy: -675.509
where: short stacking energy: -293.085
Base-Backbone interact. energy: -1.062
local terms energy: -324.678426
where:
bonds (distance) C4'-P energy: -59.783
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -67.362
flat angles P-C4'-P energy: -50.406
tors. eta vs tors. theta energy: -86.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -952.772656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.772656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.772656 (E_RNA)
where:
Base-Base interactions energy: -647.370
where: short stacking energy: -283.765
Base-Backbone interact. energy: -0.881
local terms energy: -304.521873
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -53.628
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -80.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -919.699665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.699665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.699665 (E_RNA)
where:
Base-Base interactions energy: -639.770
where: short stacking energy: -286.107
Base-Backbone interact. energy: 0.941
local terms energy: -280.871483
where:
bonds (distance) C4'-P energy: -50.917
bonds (distance) P-C4' energy: -52.163
flat angles C4'-P-C4' energy: -56.519
flat angles P-C4'-P energy: -38.971
tors. eta vs tors. theta energy: -82.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -863.917251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.917251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.917251 (E_RNA)
where:
Base-Base interactions energy: -585.423
where: short stacking energy: -262.911
Base-Backbone interact. energy: 0.960
local terms energy: -279.454374
where:
bonds (distance) C4'-P energy: -54.818
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -68.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -812.175548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.175548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.175548 (E_RNA)
where:
Base-Base interactions energy: -541.736
where: short stacking energy: -251.975
Base-Backbone interact. energy: 1.091
local terms energy: -271.530353
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -59.136
flat angles C4'-P-C4' energy: -57.140
flat angles P-C4'-P energy: -31.109
tors. eta vs tors. theta energy: -76.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -690.869202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.869202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.869202 (E_RNA)
where:
Base-Base interactions energy: -449.335
where: short stacking energy: -218.864
Base-Backbone interact. energy: -1.086
local terms energy: -240.448325
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -55.826
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -50.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -623.360461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.360461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.360461 (E_RNA)
where:
Base-Base interactions energy: -408.326
where: short stacking energy: -175.061
Base-Backbone interact. energy: 0.155
local terms energy: -215.189483
where:
bonds (distance) C4'-P energy: -46.684
bonds (distance) P-C4' energy: -49.959
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -33.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -559.158678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.158678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.158678 (E_RNA)
where:
Base-Base interactions energy: -350.275
where: short stacking energy: -151.624
Base-Backbone interact. energy: -1.322
local terms energy: -207.561293
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -46.115
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -31.203
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -427.604946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.604946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.604946 (E_RNA)
where:
Base-Base interactions energy: -252.720
where: short stacking energy: -115.433
Base-Backbone interact. energy: -0.433
local terms energy: -174.452196
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -46.774
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -295.345194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.345194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.345194 (E_RNA)
where:
Base-Base interactions energy: -141.036
where: short stacking energy: -88.487
Base-Backbone interact. energy: -1.075
local terms energy: -153.234710
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -54.836
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: 2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -993.704959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.704959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.704959 (E_RNA)
where:
Base-Base interactions energy: -678.886
where: short stacking energy: -305.019
Base-Backbone interact. energy: -0.667
local terms energy: -314.151980
where:
bonds (distance) C4'-P energy: -58.149
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -62.471
flat angles P-C4'-P energy: -42.053
tors. eta vs tors. theta energy: -92.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -968.025488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.025488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.025488 (E_RNA)
where:
Base-Base interactions energy: -654.800
where: short stacking energy: -281.607
Base-Backbone interact. energy: -1.876
local terms energy: -311.349497
where:
bonds (distance) C4'-P energy: -53.661
bonds (distance) P-C4' energy: -52.008
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -45.892
tors. eta vs tors. theta energy: -92.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -901.341208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.341208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.341208 (E_RNA)
where:
Base-Base interactions energy: -614.508
where: short stacking energy: -248.365
Base-Backbone interact. energy: -0.499
local terms energy: -286.334181
where:
bonds (distance) C4'-P energy: -52.283
bonds (distance) P-C4' energy: -57.822
flat angles C4'-P-C4' energy: -58.839
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -77.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -855.653095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.653095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.653095 (E_RNA)
where:
Base-Base interactions energy: -571.652
where: short stacking energy: -243.257
Base-Backbone interact. energy: -1.438
local terms energy: -282.563416
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -39.604
tors. eta vs tors. theta energy: -74.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -807.883443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.883443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.883443 (E_RNA)
where:
Base-Base interactions energy: -540.391
where: short stacking energy: -246.662
Base-Backbone interact. energy: -1.036
local terms energy: -266.456084
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -56.623
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -67.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -699.127334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.127334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.127334 (E_RNA)
where:
Base-Base interactions energy: -474.760
where: short stacking energy: -210.266
Base-Backbone interact. energy: -2.684
local terms energy: -221.683557
where:
bonds (distance) C4'-P energy: -51.124
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -45.692
flat angles P-C4'-P energy: -43.600
tors. eta vs tors. theta energy: -39.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -665.961228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.961228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.961228 (E_RNA)
where:
Base-Base interactions energy: -428.249
where: short stacking energy: -195.969
Base-Backbone interact. energy: -0.330
local terms energy: -237.382562
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -59.450
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -51.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -495.991507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.991507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.991507 (E_RNA)
where:
Base-Base interactions energy: -298.885
where: short stacking energy: -150.368
Base-Backbone interact. energy: -0.631
local terms energy: -196.475391
where:
bonds (distance) C4'-P energy: -41.099
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -44.872
flat angles P-C4'-P energy: -32.647
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -439.773737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.773737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.773737 (E_RNA)
where:
Base-Base interactions energy: -251.686
where: short stacking energy: -118.079
Base-Backbone interact. energy: -0.058
local terms energy: -188.029289
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -54.532
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -229.471421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.471421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.471421 (E_RNA)
where:
Base-Base interactions energy: -93.363
where: short stacking energy: -65.874
Base-Backbone interact. energy: 0.620
local terms energy: -136.728251
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -44.048
flat angles C4'-P-C4' energy: -26.384
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: 10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -969.474868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.474868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.474868 (E_RNA)
where:
Base-Base interactions energy: -648.827
where: short stacking energy: -275.752
Base-Backbone interact. energy: -0.390
local terms energy: -320.257702
where:
bonds (distance) C4'-P energy: -62.477
bonds (distance) P-C4' energy: -59.338
flat angles C4'-P-C4' energy: -60.780
flat angles P-C4'-P energy: -50.236
tors. eta vs tors. theta energy: -87.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -957.811618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.811618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.811618 (E_RNA)
where:
Base-Base interactions energy: -636.092
where: short stacking energy: -289.058
Base-Backbone interact. energy: -0.593
local terms energy: -321.126783
where:
bonds (distance) C4'-P energy: -57.557
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -65.077
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -90.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -899.826326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.826326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.826326 (E_RNA)
where:
Base-Base interactions energy: -614.905
where: short stacking energy: -257.664
Base-Backbone interact. energy: -3.615
local terms energy: -281.305396
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -73.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -849.531085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.531085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.531085 (E_RNA)
where:
Base-Base interactions energy: -579.414
where: short stacking energy: -257.986
Base-Backbone interact. energy: 0.180
local terms energy: -270.297424
where:
bonds (distance) C4'-P energy: -57.976
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -52.886
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -77.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -792.041479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.041479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.041479 (E_RNA)
where:
Base-Base interactions energy: -532.300
where: short stacking energy: -244.053
Base-Backbone interact. energy: 0.736
local terms energy: -260.476948
where:
bonds (distance) C4'-P energy: -57.737
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: -65.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -699.978274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.978274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.978274 (E_RNA)
where:
Base-Base interactions energy: -449.891
where: short stacking energy: -215.518
Base-Backbone interact. energy: 0.037
local terms energy: -250.123953
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -47.112
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -62.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -636.140858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.140858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.140858 (E_RNA)
where:
Base-Base interactions energy: -413.370
where: short stacking energy: -165.413
Base-Backbone interact. energy: -1.860
local terms energy: -220.910467
where:
bonds (distance) C4'-P energy: -46.827
bonds (distance) P-C4' energy: -53.643
flat angles C4'-P-C4' energy: -44.973
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -36.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -456.592576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.592576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.592576 (E_RNA)
where:
Base-Base interactions energy: -265.405
where: short stacking energy: -130.074
Base-Backbone interact. energy: -0.830
local terms energy: -190.356983
where:
bonds (distance) C4'-P energy: -42.710
bonds (distance) P-C4' energy: -52.163
flat angles C4'-P-C4' energy: -48.261
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -453.017839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.017839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.017839 (E_RNA)
where:
Base-Base interactions energy: -263.122
where: short stacking energy: -131.846
Base-Backbone interact. energy: -1.466
local terms energy: -188.430057
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -57.577
flat angles C4'-P-C4' energy: -44.790
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -238.369330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.369330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.369330 (E_RNA)
where:
Base-Base interactions energy: -74.045
where: short stacking energy: -62.747
Base-Backbone interact. energy: 1.184
local terms energy: -165.507721
where:
bonds (distance) C4'-P energy: -54.831
bonds (distance) P-C4' energy: -48.546
flat angles C4'-P-C4' energy: -41.090
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: 14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -968.858691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.858691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.858691 (E_RNA)
where:
Base-Base interactions energy: -646.687
where: short stacking energy: -297.192
Base-Backbone interact. energy: -1.939
local terms energy: -320.233419
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -47.362
tors. eta vs tors. theta energy: -91.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -964.798589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.798589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.798589 (E_RNA)
where:
Base-Base interactions energy: -662.545
where: short stacking energy: -292.015
Base-Backbone interact. energy: -0.915
local terms energy: -301.339253
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -52.498
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -94.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -916.100355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.100355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.100355 (E_RNA)
where:
Base-Base interactions energy: -625.337
where: short stacking energy: -261.079
Base-Backbone interact. energy: -3.097
local terms energy: -287.666217
where:
bonds (distance) C4'-P energy: -56.952
bonds (distance) P-C4' energy: -50.570
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -80.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -847.535279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.535279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.535279 (E_RNA)
where:
Base-Base interactions energy: -559.540
where: short stacking energy: -252.473
Base-Backbone interact. energy: -1.489
local terms energy: -286.506358
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: -78.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -794.074407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.074407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.074407 (E_RNA)
where:
Base-Base interactions energy: -529.238
where: short stacking energy: -229.773
Base-Backbone interact. energy: -2.130
local terms energy: -262.706241
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -50.730
flat angles C4'-P-C4' energy: -57.826
flat angles P-C4'-P energy: -43.881
tors. eta vs tors. theta energy: -63.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -701.316470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.316470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.316470 (E_RNA)
where:
Base-Base interactions energy: -455.350
where: short stacking energy: -206.560
Base-Backbone interact. energy: -0.699
local terms energy: -245.268246
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -52.778
flat angles P-C4'-P energy: -29.234
tors. eta vs tors. theta energy: -53.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -669.456540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.456540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.456540 (E_RNA)
where:
Base-Base interactions energy: -445.023
where: short stacking energy: -181.064
Base-Backbone interact. energy: -1.086
local terms energy: -223.347805
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -52.287
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -42.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -515.764077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.764077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.764077 (E_RNA)
where:
Base-Base interactions energy: -323.471
where: short stacking energy: -125.252
Base-Backbone interact. energy: -0.229
local terms energy: -192.064099
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -46.682
flat angles C4'-P-C4' energy: -49.036
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -401.017126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.017126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.017126 (E_RNA)
where:
Base-Base interactions energy: -210.207
where: short stacking energy: -106.963
Base-Backbone interact. energy: -0.820
local terms energy: -189.990146
where:
bonds (distance) C4'-P energy: -58.605
bonds (distance) P-C4' energy: -49.997
flat angles C4'-P-C4' energy: -45.383
flat angles P-C4'-P energy: -30.829
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -253.276511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.276511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.276511 (E_RNA)
where:
Base-Base interactions energy: -79.066
where: short stacking energy: -75.116
Base-Backbone interact. energy: 3.703
local terms energy: -177.913596
where:
bonds (distance) C4'-P energy: -44.122
bonds (distance) P-C4' energy: -54.582
flat angles C4'-P-C4' energy: -44.228
flat angles P-C4'-P energy: -37.488
tors. eta vs tors. theta energy: 2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -985.913155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.913155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.913155 (E_RNA)
where:
Base-Base interactions energy: -680.420
where: short stacking energy: -298.688
Base-Backbone interact. energy: -0.626
local terms energy: -304.867362
where:
bonds (distance) C4'-P energy: -51.918
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -65.580
flat angles P-C4'-P energy: -44.363
tors. eta vs tors. theta energy: -90.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -957.755045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.755045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.755045 (E_RNA)
where:
Base-Base interactions energy: -648.831
where: short stacking energy: -279.080
Base-Backbone interact. energy: -2.392
local terms energy: -306.531959
where:
bonds (distance) C4'-P energy: -62.307
bonds (distance) P-C4' energy: -49.320
flat angles C4'-P-C4' energy: -62.745
flat angles P-C4'-P energy: -46.763
tors. eta vs tors. theta energy: -85.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -907.474776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.474776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.474776 (E_RNA)
where:
Base-Base interactions energy: -627.800
where: short stacking energy: -267.651
Base-Backbone interact. energy: -1.479
local terms energy: -278.195821
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -50.622
flat angles C4'-P-C4' energy: -60.112
flat angles P-C4'-P energy: -43.958
tors. eta vs tors. theta energy: -69.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -848.813927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.813927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.813927 (E_RNA)
where:
Base-Base interactions energy: -564.775
where: short stacking energy: -262.432
Base-Backbone interact. energy: -0.333
local terms energy: -283.705458
where:
bonds (distance) C4'-P energy: -60.802
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -57.971
flat angles P-C4'-P energy: -34.991
tors. eta vs tors. theta energy: -79.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -798.705203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.705203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.705203 (E_RNA)
where:
Base-Base interactions energy: -546.577
where: short stacking energy: -255.105
Base-Backbone interact. energy: -0.002
local terms energy: -252.126358
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -52.894
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -65.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -712.685352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.685352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.685352 (E_RNA)
where:
Base-Base interactions energy: -483.773
where: short stacking energy: -212.556
Base-Backbone interact. energy: -0.757
local terms energy: -228.155590
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -53.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -707.309548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.309548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.309548 (E_RNA)
where:
Base-Base interactions energy: -473.573
where: short stacking energy: -209.101
Base-Backbone interact. energy: -0.941
local terms energy: -232.795137
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: -57.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -548.157476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.157476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.157476 (E_RNA)
where:
Base-Base interactions energy: -337.846
where: short stacking energy: -166.076
Base-Backbone interact. energy: -0.818
local terms energy: -209.494090
where:
bonds (distance) C4'-P energy: -49.680
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -43.538
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -33.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -438.888129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.888129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.888129 (E_RNA)
where:
Base-Base interactions energy: -259.686
where: short stacking energy: -128.919
Base-Backbone interact. energy: -2.536
local terms energy: -176.666387
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -57.405
flat angles C4'-P-C4' energy: -44.014
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -257.198665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.198665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.198665 (E_RNA)
where:
Base-Base interactions energy: -84.603
where: short stacking energy: -63.848
Base-Backbone interact. energy: 0.754
local terms energy: -173.349609
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -51.509
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -979.395954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.395954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.395954 (E_RNA)
where:
Base-Base interactions energy: -668.303
where: short stacking energy: -286.514
Base-Backbone interact. energy: -0.530
local terms energy: -310.563515
where:
bonds (distance) C4'-P energy: -46.611
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -61.367
flat angles P-C4'-P energy: -51.577
tors. eta vs tors. theta energy: -92.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -966.319533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.319533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.319533 (E_RNA)
where:
Base-Base interactions energy: -670.125
where: short stacking energy: -292.170
Base-Backbone interact. energy: -2.219
local terms energy: -293.975303
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -59.418
flat angles C4'-P-C4' energy: -61.081
flat angles P-C4'-P energy: -37.660
tors. eta vs tors. theta energy: -84.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -894.277887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.277887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.277887 (E_RNA)
where:
Base-Base interactions energy: -604.774
where: short stacking energy: -252.721
Base-Backbone interact. energy: -2.284
local terms energy: -287.219183
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -47.616
flat angles C4'-P-C4' energy: -66.064
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -73.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -866.359477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.359477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.359477 (E_RNA)
where:
Base-Base interactions energy: -569.822
where: short stacking energy: -265.779
Base-Backbone interact. energy: -0.492
local terms energy: -296.045937
where:
bonds (distance) C4'-P energy: -48.962
bonds (distance) P-C4' energy: -58.996
flat angles C4'-P-C4' energy: -65.408
flat angles P-C4'-P energy: -37.379
tors. eta vs tors. theta energy: -85.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -792.772533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.772533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.772533 (E_RNA)
where:
Base-Base interactions energy: -521.775
where: short stacking energy: -254.870
Base-Backbone interact. energy: -2.060
local terms energy: -268.937737
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -56.507
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -69.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -705.079364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.079364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.079364 (E_RNA)
where:
Base-Base interactions energy: -461.332
where: short stacking energy: -208.843
Base-Backbone interact. energy: -0.688
local terms energy: -243.058781
where:
bonds (distance) C4'-P energy: -41.349
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -50.921
flat angles P-C4'-P energy: -31.843
tors. eta vs tors. theta energy: -58.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -690.953675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.953675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.953675 (E_RNA)
where:
Base-Base interactions energy: -461.685
where: short stacking energy: -194.695
Base-Backbone interact. energy: 1.114
local terms energy: -230.382431
where:
bonds (distance) C4'-P energy: -43.752
bonds (distance) P-C4' energy: -58.859
flat angles C4'-P-C4' energy: -54.223
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -591.216370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.216370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.216370 (E_RNA)
where:
Base-Base interactions energy: -388.867
where: short stacking energy: -155.602
Base-Backbone interact. energy: -2.727
local terms energy: -199.623303
where:
bonds (distance) C4'-P energy: -54.046
bonds (distance) P-C4' energy: -51.644
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -441.591205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.591205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.591205 (E_RNA)
where:
Base-Base interactions energy: -263.484
where: short stacking energy: -108.235
Base-Backbone interact. energy: -3.734
local terms energy: -174.372709
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -47.605
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -248.836106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.836106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.836106 (E_RNA)
where:
Base-Base interactions energy: -102.773
where: short stacking energy: -81.226
Base-Backbone interact. energy: -1.164
local terms energy: -144.899025
where:
bonds (distance) C4'-P energy: -44.219
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: 5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -988.794345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.794345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.794345 (E_RNA)
where:
Base-Base interactions energy: -664.480
where: short stacking energy: -293.649
Base-Backbone interact. energy: -0.248
local terms energy: -324.066143
where:
bonds (distance) C4'-P energy: -58.061
bonds (distance) P-C4' energy: -62.604
flat angles C4'-P-C4' energy: -68.442
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -95.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -947.787398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.787398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.787398 (E_RNA)
where:
Base-Base interactions energy: -622.154
where: short stacking energy: -290.223
Base-Backbone interact. energy: -1.564
local terms energy: -324.068492
where:
bonds (distance) C4'-P energy: -54.510
bonds (distance) P-C4' energy: -67.710
flat angles C4'-P-C4' energy: -65.950
flat angles P-C4'-P energy: -51.556
tors. eta vs tors. theta energy: -84.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -902.396213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.396213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.396213 (E_RNA)
where:
Base-Base interactions energy: -628.346
where: short stacking energy: -250.409
Base-Backbone interact. energy: -4.053
local terms energy: -269.997027
where:
bonds (distance) C4'-P energy: -51.530
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -58.500
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -81.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -858.877544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.877544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.877544 (E_RNA)
where:
Base-Base interactions energy: -560.347
where: short stacking energy: -259.766
Base-Backbone interact. energy: 2.025
local terms energy: -300.555970
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -59.331
flat angles C4'-P-C4' energy: -63.137
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -82.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -692.556816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.556816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.556816 (E_RNA)
where:
Base-Base interactions energy: -434.108
where: short stacking energy: -199.753
Base-Backbone interact. energy: -2.374
local terms energy: -256.074672
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -54.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -744.157538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.157538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.157538 (E_RNA)
where:
Base-Base interactions energy: -486.525
where: short stacking energy: -226.234
Base-Backbone interact. energy: -1.471
local terms energy: -256.161892
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -53.750
flat angles P-C4'-P energy: -38.710
tors. eta vs tors. theta energy: -67.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -732.408535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.408535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.408535 (E_RNA)
where:
Base-Base interactions energy: -482.540
where: short stacking energy: -212.660
Base-Backbone interact. energy: -0.385
local terms energy: -249.484329
where:
bonds (distance) C4'-P energy: -45.809
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -50.155
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -58.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -536.347183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.347183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.347183 (E_RNA)
where:
Base-Base interactions energy: -322.581
where: short stacking energy: -152.722
Base-Backbone interact. energy: -0.433
local terms energy: -213.332737
where:
bonds (distance) C4'-P energy: -55.016
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -49.052
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: -27.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -431.342227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.342227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.342227 (E_RNA)
where:
Base-Base interactions energy: -255.958
where: short stacking energy: -118.863
Base-Backbone interact. energy: 1.213
local terms energy: -176.597092
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -259.853763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.853763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.853763 (E_RNA)
where:
Base-Base interactions energy: -101.559
where: short stacking energy: -88.070
Base-Backbone interact. energy: -0.935
local terms energy: -157.359767
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -998.072852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.072852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.072852 (E_RNA)
where:
Base-Base interactions energy: -682.545
where: short stacking energy: -307.874
Base-Backbone interact. energy: 0.760
local terms energy: -316.287767
where:
bonds (distance) C4'-P energy: -56.683
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -64.943
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: -94.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -949.438497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.438497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.438497 (E_RNA)
where:
Base-Base interactions energy: -652.285
where: short stacking energy: -292.679
Base-Backbone interact. energy: -0.981
local terms energy: -296.172685
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -63.148
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -81.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -917.194636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.194636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.194636 (E_RNA)
where:
Base-Base interactions energy: -632.033
where: short stacking energy: -273.673
Base-Backbone interact. energy: -2.109
local terms energy: -283.052282
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -62.908
flat angles C4'-P-C4' energy: -61.131
flat angles P-C4'-P energy: -31.381
tors. eta vs tors. theta energy: -80.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -856.172411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.172411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.172411 (E_RNA)
where:
Base-Base interactions energy: -574.718
where: short stacking energy: -264.416
Base-Backbone interact. energy: -1.105
local terms energy: -280.348907
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -48.577
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -82.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -691.327993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.327993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.327993 (E_RNA)
where:
Base-Base interactions energy: -445.365
where: short stacking energy: -202.093
Base-Backbone interact. energy: -0.843
local terms energy: -245.120480
where:
bonds (distance) C4'-P energy: -50.594
bonds (distance) P-C4' energy: -49.715
flat angles C4'-P-C4' energy: -56.416
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -50.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -744.316453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.316453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.316453 (E_RNA)
where:
Base-Base interactions energy: -508.222
where: short stacking energy: -219.270
Base-Backbone interact. energy: -0.448
local terms energy: -235.646669
where:
bonds (distance) C4'-P energy: -44.321
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -38.683
tors. eta vs tors. theta energy: -59.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -659.814337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.814337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.814337 (E_RNA)
where:
Base-Base interactions energy: -419.990
where: short stacking energy: -190.170
Base-Backbone interact. energy: -2.491
local terms energy: -237.332744
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -47.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -571.914600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.914600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.914600 (E_RNA)
where:
Base-Base interactions energy: -381.414
where: short stacking energy: -178.831
Base-Backbone interact. energy: -2.209
local terms energy: -188.291210
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -44.660
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -31.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -419.530125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.530125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.530125 (E_RNA)
where:
Base-Base interactions energy: -231.208
where: short stacking energy: -123.660
Base-Backbone interact. energy: 2.876
local terms energy: -191.197483
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -47.959
flat angles C4'-P-C4' energy: -42.141
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -263.386188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.386188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.386188 (E_RNA)
where:
Base-Base interactions energy: -104.460
where: short stacking energy: -89.992
Base-Backbone interact. energy: -0.172
local terms energy: -158.753354
where:
bonds (distance) C4'-P energy: -44.417
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -44.988
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -999.047399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.047399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.047399 (E_RNA)
where:
Base-Base interactions energy: -681.974
where: short stacking energy: -308.064
Base-Backbone interact. energy: -0.126
local terms energy: -316.947387
where:
bonds (distance) C4'-P energy: -47.107
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -70.247
flat angles P-C4'-P energy: -46.725
tors. eta vs tors. theta energy: -98.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -937.834831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.834831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.834831 (E_RNA)
where:
Base-Base interactions energy: -648.388
where: short stacking energy: -281.221
Base-Backbone interact. energy: -1.464
local terms energy: -287.982866
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -48.012
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -85.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -914.437779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.437779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.437779 (E_RNA)
where:
Base-Base interactions energy: -629.178
where: short stacking energy: -249.950
Base-Backbone interact. energy: -0.760
local terms energy: -284.500490
where:
bonds (distance) C4'-P energy: -52.452
bonds (distance) P-C4' energy: -48.640
flat angles C4'-P-C4' energy: -65.375
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: -77.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -857.043248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.043248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.043248 (E_RNA)
where:
Base-Base interactions energy: -572.515
where: short stacking energy: -248.688
Base-Backbone interact. energy: -3.286
local terms energy: -281.242256
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -60.158
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -36.925
tors. eta vs tors. theta energy: -72.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -808.037699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.037699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.037699 (E_RNA)
where:
Base-Base interactions energy: -554.849
where: short stacking energy: -252.278
Base-Backbone interact. energy: -2.077
local terms energy: -251.111732
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -53.753
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -69.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -681.244553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.244553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.244553 (E_RNA)
where:
Base-Base interactions energy: -426.620
where: short stacking energy: -204.389
Base-Backbone interact. energy: -0.823
local terms energy: -253.801404
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -58.694
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -35.375
tors. eta vs tors. theta energy: -48.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -663.935508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.935508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.935508 (E_RNA)
where:
Base-Base interactions energy: -444.471
where: short stacking energy: -203.157
Base-Backbone interact. energy: -2.653
local terms energy: -216.811952
where:
bonds (distance) C4'-P energy: -37.730
bonds (distance) P-C4' energy: -51.073
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -47.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -533.801933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.801933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.801933 (E_RNA)
where:
Base-Base interactions energy: -337.084
where: short stacking energy: -155.944
Base-Backbone interact. energy: 1.533
local terms energy: -198.250851
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -42.714
flat angles C4'-P-C4' energy: -46.981
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -29.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -443.689949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.689949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.689949 (E_RNA)
where:
Base-Base interactions energy: -258.004
where: short stacking energy: -136.316
Base-Backbone interact. energy: -0.130
local terms energy: -185.555857
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -53.869
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -263.274951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.274951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.274951 (E_RNA)
where:
Base-Base interactions energy: -81.694
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.676
local terms energy: -180.904980
where:
bonds (distance) C4'-P energy: -54.534
bonds (distance) P-C4' energy: -57.266
flat angles C4'-P-C4' energy: -41.722
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: 8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -984.052085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.052085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.052085 (E_RNA)
where:
Base-Base interactions energy: -668.362
where: short stacking energy: -294.536
Base-Backbone interact. energy: -1.086
local terms energy: -314.604555
where:
bonds (distance) C4'-P energy: -52.493
bonds (distance) P-C4' energy: -55.923
flat angles C4'-P-C4' energy: -64.349
flat angles P-C4'-P energy: -49.313
tors. eta vs tors. theta energy: -92.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -936.766025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.766025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.766025 (E_RNA)
where:
Base-Base interactions energy: -638.326
where: short stacking energy: -286.266
Base-Backbone interact. energy: -2.593
local terms energy: -295.846726
where:
bonds (distance) C4'-P energy: -48.495
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -58.330
flat angles P-C4'-P energy: -50.359
tors. eta vs tors. theta energy: -86.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -906.779633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.779633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.779633 (E_RNA)
where:
Base-Base interactions energy: -629.032
where: short stacking energy: -260.961
Base-Backbone interact. energy: 0.482
local terms energy: -278.229218
where:
bonds (distance) C4'-P energy: -63.493
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -54.254
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -73.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -863.641222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.641222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.641222 (E_RNA)
where:
Base-Base interactions energy: -577.597
where: short stacking energy: -249.243
Base-Backbone interact. energy: -0.436
local terms energy: -285.608140
where:
bonds (distance) C4'-P energy: -50.506
bonds (distance) P-C4' energy: -57.633
flat angles C4'-P-C4' energy: -63.474
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -76.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -794.194725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.194725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.194725 (E_RNA)
where:
Base-Base interactions energy: -521.759
where: short stacking energy: -241.803
Base-Backbone interact. energy: -1.291
local terms energy: -271.144986
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -50.257
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -74.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -688.083939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.083939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.083939 (E_RNA)
where:
Base-Base interactions energy: -446.799
where: short stacking energy: -190.778
Base-Backbone interact. energy: -0.134
local terms energy: -241.151730
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -49.143
flat angles C4'-P-C4' energy: -59.184
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -52.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -624.826483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.826483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.826483 (E_RNA)
where:
Base-Base interactions energy: -389.129
where: short stacking energy: -172.782
Base-Backbone interact. energy: -0.549
local terms energy: -235.149031
where:
bonds (distance) C4'-P energy: -51.082
bonds (distance) P-C4' energy: -55.201
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -41.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -519.935190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.935190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.935190 (E_RNA)
where:
Base-Base interactions energy: -331.030
where: short stacking energy: -128.768
Base-Backbone interact. energy: -0.888
local terms energy: -188.017446
where:
bonds (distance) C4'-P energy: -46.002
bonds (distance) P-C4' energy: -42.482
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -36.125
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -495.601948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.601948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.601948 (E_RNA)
where:
Base-Base interactions energy: -303.897
where: short stacking energy: -134.833
Base-Backbone interact. energy: -1.044
local terms energy: -190.661116
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -47.563
flat angles C4'-P-C4' energy: -34.221
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -242.366031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.366031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.366031 (E_RNA)
where:
Base-Base interactions energy: -90.587
where: short stacking energy: -74.228
Base-Backbone interact. energy: -0.722
local terms energy: -151.057118
where:
bonds (distance) C4'-P energy: -46.059
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -986.828087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.828087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.828087 (E_RNA)
where:
Base-Base interactions energy: -664.262
where: short stacking energy: -303.261
Base-Backbone interact. energy: -0.274
local terms energy: -322.292111
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -66.208
flat angles P-C4'-P energy: -49.899
tors. eta vs tors. theta energy: -96.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -936.426772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.426772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.426772 (E_RNA)
where:
Base-Base interactions energy: -635.098
where: short stacking energy: -277.688
Base-Backbone interact. energy: -1.819
local terms energy: -299.510284
where:
bonds (distance) C4'-P energy: -55.313
bonds (distance) P-C4' energy: -58.279
flat angles C4'-P-C4' energy: -65.794
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: -79.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -884.614896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.614896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.614896 (E_RNA)
where:
Base-Base interactions energy: -597.182
where: short stacking energy: -258.118
Base-Backbone interact. energy: -1.541
local terms energy: -285.891767
where:
bonds (distance) C4'-P energy: -51.304
bonds (distance) P-C4' energy: -55.404
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -77.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -876.746342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.746342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.746342 (E_RNA)
where:
Base-Base interactions energy: -601.950
where: short stacking energy: -254.877
Base-Backbone interact. energy: -0.251
local terms energy: -274.545706
where:
bonds (distance) C4'-P energy: -52.226
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -74.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -785.895349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.895349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.895349 (E_RNA)
where:
Base-Base interactions energy: -512.846
where: short stacking energy: -224.194
Base-Backbone interact. energy: -1.261
local terms energy: -271.788300
where:
bonds (distance) C4'-P energy: -57.581
bonds (distance) P-C4' energy: -52.824
flat angles C4'-P-C4' energy: -63.662
flat angles P-C4'-P energy: -43.216
tors. eta vs tors. theta energy: -54.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -705.353752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.353752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.353752 (E_RNA)
where:
Base-Base interactions energy: -466.337
where: short stacking energy: -200.895
Base-Backbone interact. energy: -2.975
local terms energy: -236.041949
where:
bonds (distance) C4'-P energy: -40.094
bonds (distance) P-C4' energy: -58.667
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -56.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -675.024390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.024390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.024390 (E_RNA)
where:
Base-Base interactions energy: -444.471
where: short stacking energy: -204.744
Base-Backbone interact. energy: -1.093
local terms energy: -229.460526
where:
bonds (distance) C4'-P energy: -42.582
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -48.171
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -57.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -582.060538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.060538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.060538 (E_RNA)
where:
Base-Base interactions energy: -362.232
where: short stacking energy: -175.335
Base-Backbone interact. energy: -0.062
local terms energy: -219.766031
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -50.497
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -47.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -493.742319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.742319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.742319 (E_RNA)
where:
Base-Base interactions energy: -285.119
where: short stacking energy: -137.236
Base-Backbone interact. energy: -1.776
local terms energy: -206.847342
where:
bonds (distance) C4'-P energy: -55.093
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -47.530
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -31.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -231.746223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.746223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.746223 (E_RNA)
where:
Base-Base interactions energy: -69.586
where: short stacking energy: -62.474
Base-Backbone interact. energy: 1.776
local terms energy: -163.936226
where:
bonds (distance) C4'-P energy: -44.527
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -46.657
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -989.452424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.452424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.452424 (E_RNA)
where:
Base-Base interactions energy: -672.323
where: short stacking energy: -292.228
Base-Backbone interact. energy: -1.291
local terms energy: -315.838026
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -61.074
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -89.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -925.871253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.871253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.871253 (E_RNA)
where:
Base-Base interactions energy: -626.356
where: short stacking energy: -265.756
Base-Backbone interact. energy: -1.198
local terms energy: -298.317537
where:
bonds (distance) C4'-P energy: -54.190
bonds (distance) P-C4' energy: -55.985
flat angles C4'-P-C4' energy: -67.240
flat angles P-C4'-P energy: -44.162
tors. eta vs tors. theta energy: -76.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -917.640322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.640322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.640322 (E_RNA)
where:
Base-Base interactions energy: -625.510
where: short stacking energy: -275.772
Base-Backbone interact. energy: -2.146
local terms energy: -289.984383
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -54.001
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -82.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -867.043019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.043019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.043019 (E_RNA)
where:
Base-Base interactions energy: -585.764
where: short stacking energy: -271.253
Base-Backbone interact. energy: -2.193
local terms energy: -279.085646
where:
bonds (distance) C4'-P energy: -40.690
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -57.760
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -87.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -779.177841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.177841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.177841 (E_RNA)
where:
Base-Base interactions energy: -521.919
where: short stacking energy: -227.420
Base-Backbone interact. energy: -0.342
local terms energy: -256.917749
where:
bonds (distance) C4'-P energy: -41.359
bonds (distance) P-C4' energy: -47.747
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -67.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -697.896299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.896299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.896299 (E_RNA)
where:
Base-Base interactions energy: -453.907
where: short stacking energy: -222.320
Base-Backbone interact. energy: -0.925
local terms energy: -243.063880
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -55.324
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -62.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -713.777417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.777417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.777417 (E_RNA)
where:
Base-Base interactions energy: -466.213
where: short stacking energy: -190.395
Base-Backbone interact. energy: -0.864
local terms energy: -246.700105
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -45.731
flat angles C4'-P-C4' energy: -59.003
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -51.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -580.630907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.630907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.630907 (E_RNA)
where:
Base-Base interactions energy: -364.407
where: short stacking energy: -170.875
Base-Backbone interact. energy: -2.233
local terms energy: -213.990934
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -55.714
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -29.280
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -479.936385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.936385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.936385 (E_RNA)
where:
Base-Base interactions energy: -286.378
where: short stacking energy: -127.934
Base-Backbone interact. energy: -0.517
local terms energy: -193.040853
where:
bonds (distance) C4'-P energy: -50.550
bonds (distance) P-C4' energy: -60.248
flat angles C4'-P-C4' energy: -39.218
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -277.745630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.745630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.745630 (E_RNA)
where:
Base-Base interactions energy: -126.863
where: short stacking energy: -71.144
Base-Backbone interact. energy: 0.365
local terms energy: -151.247307
where:
bonds (distance) C4'-P energy: -40.011
bonds (distance) P-C4' energy: -53.833
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: 4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -942.735285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.735285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.735285 (E_RNA)
where:
Base-Base interactions energy: -652.597
where: short stacking energy: -252.536
Base-Backbone interact. energy: -1.911
local terms energy: -288.226613
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -66.064
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -67.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -961.595385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.595385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.595385 (E_RNA)
where:
Base-Base interactions energy: -671.173
where: short stacking energy: -288.735
Base-Backbone interact. energy: -1.077
local terms energy: -289.345844
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -57.047
flat angles C4'-P-C4' energy: -63.952
flat angles P-C4'-P energy: -36.467
tors. eta vs tors. theta energy: -80.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -917.293992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.293992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.293992 (E_RNA)
where:
Base-Base interactions energy: -615.787
where: short stacking energy: -274.259
Base-Backbone interact. energy: -0.406
local terms energy: -301.101843
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -90.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -880.023735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.023735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.023735 (E_RNA)
where:
Base-Base interactions energy: -584.407
where: short stacking energy: -278.989
Base-Backbone interact. energy: -1.538
local terms energy: -294.079078
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -53.245
flat angles C4'-P-C4' energy: -59.291
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -87.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -808.747080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.747080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.747080 (E_RNA)
where:
Base-Base interactions energy: -539.365
where: short stacking energy: -237.416
Base-Backbone interact. energy: -0.568
local terms energy: -268.814499
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -60.409
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -73.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -688.487302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.487302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.487302 (E_RNA)
where:
Base-Base interactions energy: -446.559
where: short stacking energy: -197.682
Base-Backbone interact. energy: -0.319
local terms energy: -241.609217
where:
bonds (distance) C4'-P energy: -54.320
bonds (distance) P-C4' energy: -47.845
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -45.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -727.766366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.766366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.766366 (E_RNA)
where:
Base-Base interactions energy: -478.428
where: short stacking energy: -201.604
Base-Backbone interact. energy: -1.231
local terms energy: -248.106949
where:
bonds (distance) C4'-P energy: -53.417
bonds (distance) P-C4' energy: -48.168
flat angles C4'-P-C4' energy: -47.758
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -60.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -563.253831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.253831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.253831 (E_RNA)
where:
Base-Base interactions energy: -353.098
where: short stacking energy: -181.569
Base-Backbone interact. energy: -0.868
local terms energy: -209.287614
where:
bonds (distance) C4'-P energy: -39.227
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -55.810
flat angles P-C4'-P energy: -28.098
tors. eta vs tors. theta energy: -39.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -492.014218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.014218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.014218 (E_RNA)
where:
Base-Base interactions energy: -303.234
where: short stacking energy: -144.277
Base-Backbone interact. energy: 0.508
local terms energy: -189.288329
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -328.547667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.547667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.547667 (E_RNA)
where:
Base-Base interactions energy: -163.294
where: short stacking energy: -76.144
Base-Backbone interact. energy: 2.222
local terms energy: -167.475874
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -57.062
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: 8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -951.707994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.707994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.707994 (E_RNA)
where:
Base-Base interactions energy: -651.844
where: short stacking energy: -272.840
Base-Backbone interact. energy: 1.060
local terms energy: -300.923697
where:
bonds (distance) C4'-P energy: -59.010
bonds (distance) P-C4' energy: -57.020
flat angles C4'-P-C4' energy: -68.052
flat angles P-C4'-P energy: -40.885
tors. eta vs tors. theta energy: -75.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -966.342822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.342822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.342822 (E_RNA)
where:
Base-Base interactions energy: -667.745
where: short stacking energy: -291.415
Base-Backbone interact. energy: 1.044
local terms energy: -299.641199
where:
bonds (distance) C4'-P energy: -58.451
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -54.706
flat angles P-C4'-P energy: -46.743
tors. eta vs tors. theta energy: -92.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -921.502023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.502023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.502023 (E_RNA)
where:
Base-Base interactions energy: -639.514
where: short stacking energy: -301.423
Base-Backbone interact. energy: -1.992
local terms energy: -279.996301
where:
bonds (distance) C4'-P energy: -53.815
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -64.822
flat angles P-C4'-P energy: -36.756
tors. eta vs tors. theta energy: -83.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -904.745522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.745522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.745522 (E_RNA)
where:
Base-Base interactions energy: -616.080
where: short stacking energy: -287.061
Base-Backbone interact. energy: -1.023
local terms energy: -287.642510
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -85.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -775.799119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.799119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.799119 (E_RNA)
where:
Base-Base interactions energy: -507.625
where: short stacking energy: -230.656
Base-Backbone interact. energy: -1.949
local terms energy: -266.225099
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -51.484
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -60.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -716.824802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.824802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.824802 (E_RNA)
where:
Base-Base interactions energy: -483.323
where: short stacking energy: -203.853
Base-Backbone interact. energy: 1.621
local terms energy: -235.122979
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -49.613
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -31.643
tors. eta vs tors. theta energy: -52.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -668.434420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.434420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.434420 (E_RNA)
where:
Base-Base interactions energy: -448.104
where: short stacking energy: -190.790
Base-Backbone interact. energy: -1.360
local terms energy: -218.970285
where:
bonds (distance) C4'-P energy: -51.053
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -52.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -536.963784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.963784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.963784 (E_RNA)
where:
Base-Base interactions energy: -324.594
where: short stacking energy: -156.464
Base-Backbone interact. energy: -0.853
local terms energy: -211.516742
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -42.493
flat angles P-C4'-P energy: -37.930
tors. eta vs tors. theta energy: -40.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -428.609213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.609213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.609213 (E_RNA)
where:
Base-Base interactions energy: -247.440
where: short stacking energy: -112.578
Base-Backbone interact. energy: -0.763
local terms energy: -180.406030
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -350.868625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.868625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.868625 (E_RNA)
where:
Base-Base interactions energy: -176.327
where: short stacking energy: -89.382
Base-Backbone interact. energy: 1.366
local terms energy: -175.907735
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -979.703292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.703292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.703292 (E_RNA)
where:
Base-Base interactions energy: -661.327
where: short stacking energy: -298.505
Base-Backbone interact. energy: -0.537
local terms energy: -317.838888
where:
bonds (distance) C4'-P energy: -59.071
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -58.265
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -96.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -949.432397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.432397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.432397 (E_RNA)
where:
Base-Base interactions energy: -666.799
where: short stacking energy: -280.684
Base-Backbone interact. energy: -1.302
local terms energy: -281.331548
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -47.343
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -38.991
tors. eta vs tors. theta energy: -79.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -919.269873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.269873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.269873 (E_RNA)
where:
Base-Base interactions energy: -625.041
where: short stacking energy: -254.844
Base-Backbone interact. energy: -1.859
local terms energy: -292.370095
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -62.690
flat angles P-C4'-P energy: -47.907
tors. eta vs tors. theta energy: -78.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -897.296981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.296981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.296981 (E_RNA)
where:
Base-Base interactions energy: -606.527
where: short stacking energy: -265.763
Base-Backbone interact. energy: -0.685
local terms energy: -290.085410
where:
bonds (distance) C4'-P energy: -61.650
bonds (distance) P-C4' energy: -51.166
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -83.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -822.563042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.563042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.563042 (E_RNA)
where:
Base-Base interactions energy: -566.984
where: short stacking energy: -243.471
Base-Backbone interact. energy: -1.707
local terms energy: -253.871935
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -50.565
flat angles C4'-P-C4' energy: -62.767
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -70.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -713.442218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.442218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.442218 (E_RNA)
where:
Base-Base interactions energy: -477.720
where: short stacking energy: -215.801
Base-Backbone interact. energy: -0.552
local terms energy: -235.170338
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -50.265
flat angles C4'-P-C4' energy: -51.920
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -53.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -653.951967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.951967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.951967 (E_RNA)
where:
Base-Base interactions energy: -418.291
where: short stacking energy: -200.737
Base-Backbone interact. energy: -0.153
local terms energy: -235.508331
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -54.332
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -45.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -501.249349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.249349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.249349 (E_RNA)
where:
Base-Base interactions energy: -290.821
where: short stacking energy: -134.813
Base-Backbone interact. energy: -0.804
local terms energy: -209.624533
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -32.270
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -425.749208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.749208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.749208 (E_RNA)
where:
Base-Base interactions energy: -267.996
where: short stacking energy: -134.844
Base-Backbone interact. energy: -0.069
local terms energy: -157.683685
where:
bonds (distance) C4'-P energy: -40.210
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -33.600
flat angles P-C4'-P energy: -19.824
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -331.470778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.470778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.470778 (E_RNA)
where:
Base-Base interactions energy: -160.276
where: short stacking energy: -99.267
Base-Backbone interact. energy: -0.543
local terms energy: -170.651870
where:
bonds (distance) C4'-P energy: -43.658
bonds (distance) P-C4' energy: -51.600
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1006.772240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.772240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.772240 (E_RNA)
where:
Base-Base interactions energy: -681.823
where: short stacking energy: -300.720
Base-Backbone interact. energy: -0.098
local terms energy: -324.851801
where:
bonds (distance) C4'-P energy: -55.348
bonds (distance) P-C4' energy: -64.403
flat angles C4'-P-C4' energy: -68.746
flat angles P-C4'-P energy: -46.607
tors. eta vs tors. theta energy: -89.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -941.608664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.608664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.608664 (E_RNA)
where:
Base-Base interactions energy: -646.167
where: short stacking energy: -277.753
Base-Backbone interact. energy: -0.730
local terms energy: -294.711543
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -69.428
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -80.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -915.544965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.544965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.544965 (E_RNA)
where:
Base-Base interactions energy: -628.229
where: short stacking energy: -267.024
Base-Backbone interact. energy: 4.227
local terms energy: -291.543044
where:
bonds (distance) C4'-P energy: -58.248
bonds (distance) P-C4' energy: -53.478
flat angles C4'-P-C4' energy: -54.938
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -79.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -883.670275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.670275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.670275 (E_RNA)
where:
Base-Base interactions energy: -599.645
where: short stacking energy: -270.556
Base-Backbone interact. energy: -1.036
local terms energy: -282.989481
where:
bonds (distance) C4'-P energy: -41.015
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -43.402
tors. eta vs tors. theta energy: -89.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -829.130711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.130711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.130711 (E_RNA)
where:
Base-Base interactions energy: -563.586
where: short stacking energy: -245.796
Base-Backbone interact. energy: -1.343
local terms energy: -264.200801
where:
bonds (distance) C4'-P energy: -49.137
bonds (distance) P-C4' energy: -47.616
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: -80.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -732.978989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.978989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.978989 (E_RNA)
where:
Base-Base interactions energy: -489.370
where: short stacking energy: -215.062
Base-Backbone interact. energy: -0.680
local terms energy: -242.929172
where:
bonds (distance) C4'-P energy: -45.427
bonds (distance) P-C4' energy: -53.536
flat angles C4'-P-C4' energy: -50.855
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -56.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -646.693670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.693670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.693670 (E_RNA)
where:
Base-Base interactions energy: -427.116
where: short stacking energy: -200.245
Base-Backbone interact. energy: -0.028
local terms energy: -219.549856
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -47.393
flat angles C4'-P-C4' energy: -55.877
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -40.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -517.123586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.123586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.123586 (E_RNA)
where:
Base-Base interactions energy: -324.746
where: short stacking energy: -150.360
Base-Backbone interact. energy: 3.070
local terms energy: -195.447368
where:
bonds (distance) C4'-P energy: -52.552
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -465.788430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.788430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.788430 (E_RNA)
where:
Base-Base interactions energy: -251.696
where: short stacking energy: -137.336
Base-Backbone interact. energy: -0.920
local terms energy: -213.172285
where:
bonds (distance) C4'-P energy: -51.555
bonds (distance) P-C4' energy: -51.266
flat angles C4'-P-C4' energy: -51.970
flat angles P-C4'-P energy: -30.825
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -346.056986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.056986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.056986 (E_RNA)
where:
Base-Base interactions energy: -171.198
where: short stacking energy: -96.630
Base-Backbone interact. energy: 1.968
local terms energy: -176.827579
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -36.756
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -952.691342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.691342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.691342 (E_RNA)
where:
Base-Base interactions energy: -658.261
where: short stacking energy: -289.634
Base-Backbone interact. energy: -1.732
local terms energy: -292.698542
where:
bonds (distance) C4'-P energy: -57.765
bonds (distance) P-C4' energy: -53.930
flat angles C4'-P-C4' energy: -64.924
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -84.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -977.303160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.303160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.303160 (E_RNA)
where:
Base-Base interactions energy: -669.381
where: short stacking energy: -305.985
Base-Backbone interact. energy: -0.363
local terms energy: -307.559781
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -52.589
flat angles C4'-P-C4' energy: -68.797
flat angles P-C4'-P energy: -41.718
tors. eta vs tors. theta energy: -93.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -943.197232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.197232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.197232 (E_RNA)
where:
Base-Base interactions energy: -644.365
where: short stacking energy: -288.114
Base-Backbone interact. energy: 0.025
local terms energy: -298.857255
where:
bonds (distance) C4'-P energy: -58.463
bonds (distance) P-C4' energy: -45.417
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -85.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -881.633307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.633307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.633307 (E_RNA)
where:
Base-Base interactions energy: -604.072
where: short stacking energy: -260.656
Base-Backbone interact. energy: 2.709
local terms energy: -280.270638
where:
bonds (distance) C4'-P energy: -52.075
bonds (distance) P-C4' energy: -53.227
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -41.841
tors. eta vs tors. theta energy: -71.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -800.357213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.357213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.357213 (E_RNA)
where:
Base-Base interactions energy: -538.325
where: short stacking energy: -238.841
Base-Backbone interact. energy: -0.693
local terms energy: -261.338801
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -57.196
flat angles P-C4'-P energy: -33.691
tors. eta vs tors. theta energy: -70.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -731.711490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.711490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.711490 (E_RNA)
where:
Base-Base interactions energy: -496.838
where: short stacking energy: -216.688
Base-Backbone interact. energy: -2.608
local terms energy: -232.264562
where:
bonds (distance) C4'-P energy: -41.012
bonds (distance) P-C4' energy: -54.765
flat angles C4'-P-C4' energy: -50.578
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -47.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -664.231234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.231234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.231234 (E_RNA)
where:
Base-Base interactions energy: -435.638
where: short stacking energy: -212.153
Base-Backbone interact. energy: 0.547
local terms energy: -229.140420
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -62.258
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -54.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -584.844887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.844887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.844887 (E_RNA)
where:
Base-Base interactions energy: -364.594
where: short stacking energy: -191.932
Base-Backbone interact. energy: 0.748
local terms energy: -220.998565
where:
bonds (distance) C4'-P energy: -44.520
bonds (distance) P-C4' energy: -43.634
flat angles C4'-P-C4' energy: -51.318
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -47.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -421.785492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.785492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.785492 (E_RNA)
where:
Base-Base interactions energy: -241.669
where: short stacking energy: -119.780
Base-Backbone interact. energy: 5.178
local terms energy: -185.294518
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -52.167
flat angles C4'-P-C4' energy: -51.923
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -350.599110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.599110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.599110 (E_RNA)
where:
Base-Base interactions energy: -190.310
where: short stacking energy: -106.155
Base-Backbone interact. energy: 0.055
local terms energy: -160.343963
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -40.501
flat angles C4'-P-C4' energy: -48.491
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: 7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -949.076582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.076582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.076582 (E_RNA)
where:
Base-Base interactions energy: -649.909
where: short stacking energy: -282.911
Base-Backbone interact. energy: -1.742
local terms energy: -297.424842
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -56.013
flat angles C4'-P-C4' energy: -61.228
flat angles P-C4'-P energy: -36.784
tors. eta vs tors. theta energy: -87.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -963.628480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.628480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.628480 (E_RNA)
where:
Base-Base interactions energy: -656.330
where: short stacking energy: -283.830
Base-Backbone interact. energy: -0.983
local terms energy: -306.315864
where:
bonds (distance) C4'-P energy: -51.857
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -68.216
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -87.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -918.529951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.529951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.529951 (E_RNA)
where:
Base-Base interactions energy: -622.637
where: short stacking energy: -278.700
Base-Backbone interact. energy: -1.051
local terms energy: -294.842391
where:
bonds (distance) C4'-P energy: -49.148
bonds (distance) P-C4' energy: -64.091
flat angles C4'-P-C4' energy: -62.709
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -76.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -891.191224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.191224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.191224 (E_RNA)
where:
Base-Base interactions energy: -629.310
where: short stacking energy: -245.320
Base-Backbone interact. energy: -0.429
local terms energy: -261.452025
where:
bonds (distance) C4'-P energy: -45.770
bonds (distance) P-C4' energy: -47.186
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: -67.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -777.665788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.665788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.665788 (E_RNA)
where:
Base-Base interactions energy: -534.236
where: short stacking energy: -242.438
Base-Backbone interact. energy: -1.069
local terms energy: -242.361142
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -48.894
flat angles P-C4'-P energy: -36.195
tors. eta vs tors. theta energy: -66.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -739.450679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.450679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.450679 (E_RNA)
where:
Base-Base interactions energy: -485.754
where: short stacking energy: -224.707
Base-Backbone interact. energy: -1.236
local terms energy: -252.460783
where:
bonds (distance) C4'-P energy: -57.807
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -62.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -650.566674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.566674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.566674 (E_RNA)
where:
Base-Base interactions energy: -396.165
where: short stacking energy: -193.391
Base-Backbone interact. energy: 0.269
local terms energy: -254.670564
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -38.367
tors. eta vs tors. theta energy: -54.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -527.318895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.318895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.318895 (E_RNA)
where:
Base-Base interactions energy: -309.980
where: short stacking energy: -148.277
Base-Backbone interact. energy: 0.188
local terms energy: -217.527421
where:
bonds (distance) C4'-P energy: -51.404
bonds (distance) P-C4' energy: -49.939
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -444.836173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.836173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.836173 (E_RNA)
where:
Base-Base interactions energy: -260.887
where: short stacking energy: -131.824
Base-Backbone interact. energy: 1.477
local terms energy: -185.426577
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -49.579
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -324.369482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.369482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.369482 (E_RNA)
where:
Base-Base interactions energy: -158.761
where: short stacking energy: -86.830
Base-Backbone interact. energy: -1.227
local terms energy: -164.381801
where:
bonds (distance) C4'-P energy: -45.257
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -33.772
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -986.020317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.020317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.020317 (E_RNA)
where:
Base-Base interactions energy: -670.844
where: short stacking energy: -309.899
Base-Backbone interact. energy: -0.678
local terms energy: -314.498517
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -52.022
flat angles C4'-P-C4' energy: -72.042
flat angles P-C4'-P energy: -49.227
tors. eta vs tors. theta energy: -89.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -917.873254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.873254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.873254 (E_RNA)
where:
Base-Base interactions energy: -634.121
where: short stacking energy: -266.168
Base-Backbone interact. energy: -0.622
local terms energy: -283.129487
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -58.230
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -71.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -919.809416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.809416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.809416 (E_RNA)
where:
Base-Base interactions energy: -623.344
where: short stacking energy: -277.122
Base-Backbone interact. energy: -0.375
local terms energy: -296.091052
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -56.385
flat angles C4'-P-C4' energy: -58.047
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -82.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -877.598067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.598067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.598067 (E_RNA)
where:
Base-Base interactions energy: -625.643
where: short stacking energy: -249.060
Base-Backbone interact. energy: 0.243
local terms energy: -252.197646
where:
bonds (distance) C4'-P energy: -43.352
bonds (distance) P-C4' energy: -56.956
flat angles C4'-P-C4' energy: -52.908
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -65.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -736.919890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.919890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.919890 (E_RNA)
where:
Base-Base interactions energy: -466.305
where: short stacking energy: -199.335
Base-Backbone interact. energy: -1.385
local terms energy: -269.229891
where:
bonds (distance) C4'-P energy: -58.037
bonds (distance) P-C4' energy: -61.321
flat angles C4'-P-C4' energy: -56.006
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -57.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -733.099220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.099220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.099220 (E_RNA)
where:
Base-Base interactions energy: -492.813
where: short stacking energy: -225.798
Base-Backbone interact. energy: 4.930
local terms energy: -245.216540
where:
bonds (distance) C4'-P energy: -41.808
bonds (distance) P-C4' energy: -46.126
flat angles C4'-P-C4' energy: -53.691
flat angles P-C4'-P energy: -46.054
tors. eta vs tors. theta energy: -57.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -652.770779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.770779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.770779 (E_RNA)
where:
Base-Base interactions energy: -419.731
where: short stacking energy: -189.118
Base-Backbone interact. energy: -0.742
local terms energy: -232.296985
where:
bonds (distance) C4'-P energy: -39.229
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -55.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -514.969185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.969185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.969185 (E_RNA)
where:
Base-Base interactions energy: -324.530
where: short stacking energy: -152.863
Base-Backbone interact. energy: 0.671
local terms energy: -191.110475
where:
bonds (distance) C4'-P energy: -38.224
bonds (distance) P-C4' energy: -49.284
flat angles C4'-P-C4' energy: -51.601
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -28.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -465.332333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.332333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.332333 (E_RNA)
where:
Base-Base interactions energy: -261.106
where: short stacking energy: -138.979
Base-Backbone interact. energy: 0.355
local terms energy: -204.580885
where:
bonds (distance) C4'-P energy: -47.958
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -46.325
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -28.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -398.511013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.511013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.511013 (E_RNA)
where:
Base-Base interactions energy: -233.288
where: short stacking energy: -120.925
Base-Backbone interact. energy: -1.950
local terms energy: -163.273589
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -46.784
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -998.678069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.678069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.678069 (E_RNA)
where:
Base-Base interactions energy: -684.645
where: short stacking energy: -306.112
Base-Backbone interact. energy: 0.236
local terms energy: -314.269285
where:
bonds (distance) C4'-P energy: -56.347
bonds (distance) P-C4' energy: -57.169
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -42.399
tors. eta vs tors. theta energy: -90.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -957.060300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.060300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.060300 (E_RNA)
where:
Base-Base interactions energy: -639.072
where: short stacking energy: -297.646
Base-Backbone interact. energy: -1.189
local terms energy: -316.798937
where:
bonds (distance) C4'-P energy: -59.255
bonds (distance) P-C4' energy: -55.306
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: -96.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -904.844103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.844103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.844103 (E_RNA)
where:
Base-Base interactions energy: -619.127
where: short stacking energy: -277.388
Base-Backbone interact. energy: -2.560
local terms energy: -283.157536
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -60.953
flat angles P-C4'-P energy: -42.192
tors. eta vs tors. theta energy: -72.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -881.008204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.008204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.008204 (E_RNA)
where:
Base-Base interactions energy: -602.394
where: short stacking energy: -258.641
Base-Backbone interact. energy: -1.008
local terms energy: -277.605724
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -46.930
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -80.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -718.808832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.808832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.808832 (E_RNA)
where:
Base-Base interactions energy: -469.629
where: short stacking energy: -223.756
Base-Backbone interact. energy: 0.476
local terms energy: -249.655732
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -50.236
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -36.903
tors. eta vs tors. theta energy: -63.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -710.700763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.700763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.700763 (E_RNA)
where:
Base-Base interactions energy: -463.257
where: short stacking energy: -204.447
Base-Backbone interact. energy: 0.234
local terms energy: -247.676893
where:
bonds (distance) C4'-P energy: -56.689
bonds (distance) P-C4' energy: -48.156
flat angles C4'-P-C4' energy: -57.501
flat angles P-C4'-P energy: -33.182
tors. eta vs tors. theta energy: -52.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -637.375780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.375780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.375780 (E_RNA)
where:
Base-Base interactions energy: -427.415
where: short stacking energy: -209.677
Base-Backbone interact. energy: -1.650
local terms energy: -208.310397
where:
bonds (distance) C4'-P energy: -44.574
bonds (distance) P-C4' energy: -38.470
flat angles C4'-P-C4' energy: -58.436
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -51.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -513.545235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.545235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.545235 (E_RNA)
where:
Base-Base interactions energy: -305.043
where: short stacking energy: -138.677
Base-Backbone interact. energy: -0.897
local terms energy: -207.605417
where:
bonds (distance) C4'-P energy: -48.022
bonds (distance) P-C4' energy: -60.040
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -487.404215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.404215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.404215 (E_RNA)
where:
Base-Base interactions energy: -314.181
where: short stacking energy: -129.399
Base-Backbone interact. energy: 0.428
local terms energy: -173.651351
where:
bonds (distance) C4'-P energy: -39.699
bonds (distance) P-C4' energy: -44.626
flat angles C4'-P-C4' energy: -43.053
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -370.897291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.897291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.897291 (E_RNA)
where:
Base-Base interactions energy: -184.702
where: short stacking energy: -96.455
Base-Backbone interact. energy: 0.391
local terms energy: -186.586239
where:
bonds (distance) C4'-P energy: -52.236
bonds (distance) P-C4' energy: -49.365
flat angles C4'-P-C4' energy: -43.362
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1004.134495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.134495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.134495 (E_RNA)
where:
Base-Base interactions energy: -690.360
where: short stacking energy: -303.958
Base-Backbone interact. energy: -0.532
local terms energy: -313.241954
where:
bonds (distance) C4'-P energy: -49.543
bonds (distance) P-C4' energy: -59.940
flat angles C4'-P-C4' energy: -63.329
flat angles P-C4'-P energy: -45.868
tors. eta vs tors. theta energy: -94.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -943.170298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.170298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.170298 (E_RNA)
where:
Base-Base interactions energy: -646.347
where: short stacking energy: -290.582
Base-Backbone interact. energy: -0.713
local terms energy: -296.110717
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -56.356
flat angles C4'-P-C4' energy: -56.219
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: -88.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -896.855227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.855227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.855227 (E_RNA)
where:
Base-Base interactions energy: -626.118
where: short stacking energy: -277.197
Base-Backbone interact. energy: -0.055
local terms energy: -270.681631
where:
bonds (distance) C4'-P energy: -44.855
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -50.714
flat angles P-C4'-P energy: -33.625
tors. eta vs tors. theta energy: -82.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -879.526557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.526557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.526557 (E_RNA)
where:
Base-Base interactions energy: -590.807
where: short stacking energy: -274.674
Base-Backbone interact. energy: -0.765
local terms energy: -287.954325
where:
bonds (distance) C4'-P energy: -49.663
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -61.300
flat angles P-C4'-P energy: -41.879
tors. eta vs tors. theta energy: -85.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -731.768465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.768465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.768465 (E_RNA)
where:
Base-Base interactions energy: -470.815
where: short stacking energy: -208.135
Base-Backbone interact. energy: -0.004
local terms energy: -260.949975
where:
bonds (distance) C4'-P energy: -56.782
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -60.527
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -51.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -705.563107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.563107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.563107 (E_RNA)
where:
Base-Base interactions energy: -461.764
where: short stacking energy: -215.401
Base-Backbone interact. energy: -3.247
local terms energy: -240.552067
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: -52.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -662.206205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.206205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.206205 (E_RNA)
where:
Base-Base interactions energy: -441.244
where: short stacking energy: -198.573
Base-Backbone interact. energy: 0.116
local terms energy: -221.078340
where:
bonds (distance) C4'-P energy: -49.516
bonds (distance) P-C4' energy: -46.904
flat angles C4'-P-C4' energy: -52.227
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: -48.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -536.492338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.492338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.492338 (E_RNA)
where:
Base-Base interactions energy: -347.000
where: short stacking energy: -162.571
Base-Backbone interact. energy: -0.786
local terms energy: -188.706052
where:
bonds (distance) C4'-P energy: -45.517
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -44.356
flat angles P-C4'-P energy: -20.329
tors. eta vs tors. theta energy: -32.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -495.713578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.713578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.713578 (E_RNA)
where:
Base-Base interactions energy: -294.448
where: short stacking energy: -133.649
Base-Backbone interact. energy: 1.698
local terms energy: -202.963492
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -33.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -376.529868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.529868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.529868 (E_RNA)
where:
Base-Base interactions energy: -218.243
where: short stacking energy: -117.919
Base-Backbone interact. energy: 1.527
local terms energy: -159.813916
where:
bonds (distance) C4'-P energy: -42.822
bonds (distance) P-C4' energy: -51.675
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -22.123
tors. eta vs tors. theta energy: -1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -996.646198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.646198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.646198 (E_RNA)
where:
Base-Base interactions energy: -698.952
where: short stacking energy: -306.418
Base-Backbone interact. energy: -0.993
local terms energy: -296.701236
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -58.171
flat angles C4'-P-C4' energy: -54.945
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -93.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -951.403634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.403634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.403634 (E_RNA)
where:
Base-Base interactions energy: -642.302
where: short stacking energy: -291.739
Base-Backbone interact. energy: -2.236
local terms energy: -306.865289
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -52.403
flat angles C4'-P-C4' energy: -59.570
flat angles P-C4'-P energy: -47.846
tors. eta vs tors. theta energy: -89.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -920.210203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.210203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.210203 (E_RNA)
where:
Base-Base interactions energy: -636.708
where: short stacking energy: -270.331
Base-Backbone interact. energy: -1.949
local terms energy: -281.553412
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -55.607
flat angles C4'-P-C4' energy: -56.351
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -80.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -863.470289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.470289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.470289 (E_RNA)
where:
Base-Base interactions energy: -577.226
where: short stacking energy: -248.709
Base-Backbone interact. energy: -0.990
local terms energy: -285.254925
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -53.757
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -31.815
tors. eta vs tors. theta energy: -86.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -761.104044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.104044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.104044 (E_RNA)
where:
Base-Base interactions energy: -514.532
where: short stacking energy: -228.392
Base-Backbone interact. energy: -0.612
local terms energy: -245.959805
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -50.523
flat angles C4'-P-C4' energy: -48.282
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -61.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -758.445157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.445157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.445157 (E_RNA)
where:
Base-Base interactions energy: -514.525
where: short stacking energy: -229.169
Base-Backbone interact. energy: -0.150
local terms energy: -243.770588
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -47.969
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -61.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -677.834263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.834263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.834263 (E_RNA)
where:
Base-Base interactions energy: -424.429
where: short stacking energy: -190.530
Base-Backbone interact. energy: 1.639
local terms energy: -255.044497
where:
bonds (distance) C4'-P energy: -54.015
bonds (distance) P-C4' energy: -47.981
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -47.910
tors. eta vs tors. theta energy: -52.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -555.188685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.188685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.188685 (E_RNA)
where:
Base-Base interactions energy: -357.640
where: short stacking energy: -149.679
Base-Backbone interact. energy: 0.045
local terms energy: -197.593956
where:
bonds (distance) C4'-P energy: -51.719
bonds (distance) P-C4' energy: -50.195
flat angles C4'-P-C4' energy: -46.131
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -438.714233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.714233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.714233 (E_RNA)
where:
Base-Base interactions energy: -251.828
where: short stacking energy: -125.085
Base-Backbone interact. energy: -2.215
local terms energy: -184.671125
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -46.249
flat angles C4'-P-C4' energy: -53.239
flat angles P-C4'-P energy: -30.045
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -356.150601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.150601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.150601 (E_RNA)
where:
Base-Base interactions energy: -193.251
where: short stacking energy: -102.784
Base-Backbone interact. energy: 1.026
local terms energy: -163.925463
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -48.871
flat angles C4'-P-C4' energy: -41.896
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1001.571154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.571154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.571154 (E_RNA)
where:
Base-Base interactions energy: -674.930
where: short stacking energy: -291.587
Base-Backbone interact. energy: -0.583
local terms energy: -326.057777
where:
bonds (distance) C4'-P energy: -62.690
bonds (distance) P-C4' energy: -55.346
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -91.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -953.588119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.588119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.588119 (E_RNA)
where:
Base-Base interactions energy: -640.384
where: short stacking energy: -289.478
Base-Backbone interact. energy: -0.217
local terms energy: -312.987070
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -93.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -918.242424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.242424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.242424 (E_RNA)
where:
Base-Base interactions energy: -627.702
where: short stacking energy: -265.890
Base-Backbone interact. energy: -3.698
local terms energy: -286.842664
where:
bonds (distance) C4'-P energy: -49.362
bonds (distance) P-C4' energy: -53.615
flat angles C4'-P-C4' energy: -61.534
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -82.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -865.983697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.983697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.983697 (E_RNA)
where:
Base-Base interactions energy: -592.615
where: short stacking energy: -268.779
Base-Backbone interact. energy: -1.522
local terms energy: -271.846613
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -58.004
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: -73.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -761.987311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.987311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.987311 (E_RNA)
where:
Base-Base interactions energy: -506.077
where: short stacking energy: -225.804
Base-Backbone interact. energy: -0.640
local terms energy: -255.270988
where:
bonds (distance) C4'-P energy: -49.380
bonds (distance) P-C4' energy: -47.881
flat angles C4'-P-C4' energy: -59.081
flat angles P-C4'-P energy: -37.228
tors. eta vs tors. theta energy: -61.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -729.168418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.168418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.168418 (E_RNA)
where:
Base-Base interactions energy: -477.872
where: short stacking energy: -206.996
Base-Backbone interact. energy: -1.153
local terms energy: -250.143413
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -43.053
flat angles C4'-P-C4' energy: -58.866
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -52.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -697.298750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.298750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.298750 (E_RNA)
where:
Base-Base interactions energy: -443.201
where: short stacking energy: -204.311
Base-Backbone interact. energy: -0.490
local terms energy: -253.607620
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -51.780
flat angles C4'-P-C4' energy: -60.892
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -52.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -567.574595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.574595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.574595 (E_RNA)
where:
Base-Base interactions energy: -375.362
where: short stacking energy: -186.432
Base-Backbone interact. energy: -0.506
local terms energy: -191.705955
where:
bonds (distance) C4'-P energy: -46.077
bonds (distance) P-C4' energy: -40.690
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -35.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -393.896554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.896554 (E_RNA)
where:
Base-Base interactions energy: -227.310
where: short stacking energy: -125.487
Base-Backbone interact. energy: 0.365
local terms energy: -166.951004
where:
bonds (distance) C4'-P energy: -46.029
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -43.937
flat angles P-C4'-P energy: -23.279
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -386.265259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.265259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.265259 (E_RNA)
where:
Base-Base interactions energy: -232.445
where: short stacking energy: -96.997
Base-Backbone interact. energy: -0.860
local terms energy: -152.961075
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -51.830
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -994.495077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.495077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.495077 (E_RNA)
where:
Base-Base interactions energy: -683.275
where: short stacking energy: -306.446
Base-Backbone interact. energy: -0.085
local terms energy: -311.135043
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -63.494
flat angles C4'-P-C4' energy: -58.037
flat angles P-C4'-P energy: -42.352
tors. eta vs tors. theta energy: -89.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -945.435851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.435851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.435851 (E_RNA)
where:
Base-Base interactions energy: -644.421
where: short stacking energy: -286.307
Base-Backbone interact. energy: -0.456
local terms energy: -300.558377
where:
bonds (distance) C4'-P energy: -57.872
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -60.436
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -87.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -927.950826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.950826 (E_RNA)
where:
Base-Base interactions energy: -644.999
where: short stacking energy: -276.175
Base-Backbone interact. energy: -0.679
local terms energy: -282.273370
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -48.358
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: -74.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -853.269423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.269423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.269423 (E_RNA)
where:
Base-Base interactions energy: -554.451
where: short stacking energy: -242.030
Base-Backbone interact. energy: 0.752
local terms energy: -299.570867
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -53.332
flat angles C4'-P-C4' energy: -69.192
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -80.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -754.140231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.140231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.140231 (E_RNA)
where:
Base-Base interactions energy: -504.161
where: short stacking energy: -233.835
Base-Backbone interact. energy: -0.064
local terms energy: -249.914997
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -61.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -702.681596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.681596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.681596 (E_RNA)
where:
Base-Base interactions energy: -475.110
where: short stacking energy: -211.889
Base-Backbone interact. energy: -1.141
local terms energy: -226.430660
where:
bonds (distance) C4'-P energy: -45.788
bonds (distance) P-C4' energy: -46.830
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -25.171
tors. eta vs tors. theta energy: -57.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -661.740008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.740008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.740008 (E_RNA)
where:
Base-Base interactions energy: -427.555
where: short stacking energy: -203.036
Base-Backbone interact. energy: -0.266
local terms energy: -233.919144
where:
bonds (distance) C4'-P energy: -49.291
bonds (distance) P-C4' energy: -46.843
flat angles C4'-P-C4' energy: -50.865
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -54.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -557.172905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.172905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.172905 (E_RNA)
where:
Base-Base interactions energy: -363.656
where: short stacking energy: -169.871
Base-Backbone interact. energy: -2.183
local terms energy: -191.334320
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -35.346
flat angles C4'-P-C4' energy: -52.214
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: -36.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -383.090286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.090286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.090286 (E_RNA)
where:
Base-Base interactions energy: -213.676
where: short stacking energy: -125.966
Base-Backbone interact. energy: 0.017
local terms energy: -169.431215
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -48.743
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -393.511782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.511782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.511782 (E_RNA)
where:
Base-Base interactions energy: -233.172
where: short stacking energy: -101.792
Base-Backbone interact. energy: -1.361
local terms energy: -158.978829
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -49.373
flat angles C4'-P-C4' energy: -26.253
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -981.869652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.869652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.869652 (E_RNA)
where:
Base-Base interactions energy: -686.949
where: short stacking energy: -287.838
Base-Backbone interact. energy: -0.491
local terms energy: -294.430554
where:
bonds (distance) C4'-P energy: -51.038
bonds (distance) P-C4' energy: -58.119
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -88.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -948.311731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.311731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.311731 (E_RNA)
where:
Base-Base interactions energy: -643.801
where: short stacking energy: -290.340
Base-Backbone interact. energy: -0.336
local terms energy: -304.174450
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -56.628
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -49.548
tors. eta vs tors. theta energy: -90.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -924.028257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.028257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.028257 (E_RNA)
where:
Base-Base interactions energy: -629.313
where: short stacking energy: -264.901
Base-Backbone interact. energy: -0.253
local terms energy: -294.461770
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -60.871
flat angles C4'-P-C4' energy: -58.057
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: -78.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -893.978660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.978660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.978660 (E_RNA)
where:
Base-Base interactions energy: -600.675
where: short stacking energy: -275.244
Base-Backbone interact. energy: -0.583
local terms energy: -292.720255
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -82.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -758.980776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.980776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.980776 (E_RNA)
where:
Base-Base interactions energy: -517.543
where: short stacking energy: -227.660
Base-Backbone interact. energy: -2.173
local terms energy: -239.264340
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -50.300
flat angles C4'-P-C4' energy: -49.633
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -53.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -716.720075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.720075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.720075 (E_RNA)
where:
Base-Base interactions energy: -500.554
where: short stacking energy: -200.856
Base-Backbone interact. energy: -1.232
local terms energy: -214.934407
where:
bonds (distance) C4'-P energy: -37.886
bonds (distance) P-C4' energy: -43.407
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -31.971
tors. eta vs tors. theta energy: -50.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -620.080389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.080389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.080389 (E_RNA)
where:
Base-Base interactions energy: -377.397
where: short stacking energy: -179.045
Base-Backbone interact. energy: -0.867
local terms energy: -241.817048
where:
bonds (distance) C4'-P energy: -50.727
bonds (distance) P-C4' energy: -44.512
flat angles C4'-P-C4' energy: -61.435
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -46.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -566.457960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.457960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.457960 (E_RNA)
where:
Base-Base interactions energy: -344.102
where: short stacking energy: -154.784
Base-Backbone interact. energy: -2.371
local terms energy: -219.985194
where:
bonds (distance) C4'-P energy: -54.135
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -44.503
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -39.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -422.336052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.336052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.336052 (E_RNA)
where:
Base-Base interactions energy: -232.533
where: short stacking energy: -117.303
Base-Backbone interact. energy: -2.674
local terms energy: -187.129322
where:
bonds (distance) C4'-P energy: -53.520
bonds (distance) P-C4' energy: -47.959
flat angles C4'-P-C4' energy: -45.584
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -394.773900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.773900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.773900 (E_RNA)
where:
Base-Base interactions energy: -228.705
where: short stacking energy: -117.632
Base-Backbone interact. energy: -1.680
local terms energy: -164.389172
where:
bonds (distance) C4'-P energy: -43.546
bonds (distance) P-C4' energy: -36.306
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -988.279223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.279223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.279223 (E_RNA)
where:
Base-Base interactions energy: -679.024
where: short stacking energy: -302.589
Base-Backbone interact. energy: -0.967
local terms energy: -308.288136
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -59.760
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: -85.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -932.267813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.267813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.267813 (E_RNA)
where:
Base-Base interactions energy: -625.248
where: short stacking energy: -283.161
Base-Backbone interact. energy: -2.391
local terms energy: -304.628549
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -62.825
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -95.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -935.229579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.229579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.229579 (E_RNA)
where:
Base-Base interactions energy: -646.275
where: short stacking energy: -266.114
Base-Backbone interact. energy: -0.986
local terms energy: -287.968232
where:
bonds (distance) C4'-P energy: -52.655
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -43.510
tors. eta vs tors. theta energy: -75.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -879.099734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.099734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.099734 (E_RNA)
where:
Base-Base interactions energy: -572.101
where: short stacking energy: -257.846
Base-Backbone interact. energy: -2.302
local terms energy: -304.696966
where:
bonds (distance) C4'-P energy: -49.651
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -66.255
flat angles P-C4'-P energy: -48.323
tors. eta vs tors. theta energy: -84.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -793.966764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.966764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.966764 (E_RNA)
where:
Base-Base interactions energy: -543.647
where: short stacking energy: -238.069
Base-Backbone interact. energy: 0.709
local terms energy: -251.028899
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -50.727
flat angles C4'-P-C4' energy: -48.622
flat angles P-C4'-P energy: -44.122
tors. eta vs tors. theta energy: -69.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -692.685182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.685182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.685182 (E_RNA)
where:
Base-Base interactions energy: -451.579
where: short stacking energy: -202.478
Base-Backbone interact. energy: 2.042
local terms energy: -243.148332
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -55.122
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -50.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -586.744946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.744946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.744946 (E_RNA)
where:
Base-Base interactions energy: -368.926
where: short stacking energy: -166.980
Base-Backbone interact. energy: -1.736
local terms energy: -216.083322
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -50.250
flat angles C4'-P-C4' energy: -51.870
flat angles P-C4'-P energy: -28.578
tors. eta vs tors. theta energy: -31.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -541.011677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.011677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.011677 (E_RNA)
where:
Base-Base interactions energy: -345.143
where: short stacking energy: -148.664
Base-Backbone interact. energy: -0.119
local terms energy: -195.749740
where:
bonds (distance) C4'-P energy: -41.573
bonds (distance) P-C4' energy: -50.302
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -36.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -434.321123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.321123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.321123 (E_RNA)
where:
Base-Base interactions energy: -252.720
where: short stacking energy: -108.952
Base-Backbone interact. energy: 4.623
local terms energy: -186.224395
where:
bonds (distance) C4'-P energy: -41.739
bonds (distance) P-C4' energy: -52.376
flat angles C4'-P-C4' energy: -46.872
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -386.558215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.558215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.558215 (E_RNA)
where:
Base-Base interactions energy: -215.638
where: short stacking energy: -123.480
Base-Backbone interact. energy: -1.259
local terms energy: -169.661767
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -42.375
flat angles C4'-P-C4' energy: -37.779
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1003.631233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.631233 (E_RNA)
where:
Base-Base interactions energy: -678.269
where: short stacking energy: -291.467
Base-Backbone interact. energy: -0.649
local terms energy: -324.712783
where:
bonds (distance) C4'-P energy: -69.337
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -88.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -931.320769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.320769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.320769 (E_RNA)
where:
Base-Base interactions energy: -629.765
where: short stacking energy: -286.666
Base-Backbone interact. energy: -0.660
local terms energy: -300.895551
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -64.045
flat angles C4'-P-C4' energy: -63.459
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -91.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -888.733763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.733763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.733763 (E_RNA)
where:
Base-Base interactions energy: -622.001
where: short stacking energy: -257.950
Base-Backbone interact. energy: -2.587
local terms energy: -264.146147
where:
bonds (distance) C4'-P energy: -45.347
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -59.655
flat angles P-C4'-P energy: -33.977
tors. eta vs tors. theta energy: -72.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -888.666258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.666258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.666258 (E_RNA)
where:
Base-Base interactions energy: -608.777
where: short stacking energy: -243.774
Base-Backbone interact. energy: -2.812
local terms energy: -277.077071
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -53.969
flat angles C4'-P-C4' energy: -56.266
flat angles P-C4'-P energy: -38.555
tors. eta vs tors. theta energy: -80.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -792.257879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.257879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.257879 (E_RNA)
where:
Base-Base interactions energy: -531.932
where: short stacking energy: -239.650
Base-Backbone interact. energy: 0.179
local terms energy: -260.505232
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -51.739
flat angles P-C4'-P energy: -32.335
tors. eta vs tors. theta energy: -65.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -701.242411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.242411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.242411 (E_RNA)
where:
Base-Base interactions energy: -459.176
where: short stacking energy: -211.492
Base-Backbone interact. energy: -0.803
local terms energy: -241.262467
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -59.383
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -54.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -583.435449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.435449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.435449 (E_RNA)
where:
Base-Base interactions energy: -359.611
where: short stacking energy: -185.780
Base-Backbone interact. energy: -0.373
local terms energy: -223.451239
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -48.838
flat angles C4'-P-C4' energy: -50.196
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -41.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -519.697500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.697500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.697500 (E_RNA)
where:
Base-Base interactions energy: -298.217
where: short stacking energy: -149.113
Base-Backbone interact. energy: -0.887
local terms energy: -220.594062
where:
bonds (distance) C4'-P energy: -51.204
bonds (distance) P-C4' energy: -49.903
flat angles C4'-P-C4' energy: -52.369
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -434.555906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.555906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.555906 (E_RNA)
where:
Base-Base interactions energy: -265.595
where: short stacking energy: -121.781
Base-Backbone interact. energy: -2.188
local terms energy: -166.772309
where:
bonds (distance) C4'-P energy: -39.215
bonds (distance) P-C4' energy: -40.506
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -326.200452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.200452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.200452 (E_RNA)
where:
Base-Base interactions energy: -151.253
where: short stacking energy: -84.658
Base-Backbone interact. energy: -0.291
local terms energy: -174.656426
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -61.604
flat angles C4'-P-C4' energy: -37.814
flat angles P-C4'-P energy: -30.618
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -987.178103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.178103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.178103 (E_RNA)
where:
Base-Base interactions energy: -675.951
where: short stacking energy: -294.165
Base-Backbone interact. energy: 1.177
local terms energy: -312.404168
where:
bonds (distance) C4'-P energy: -50.022
bonds (distance) P-C4' energy: -65.378
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -48.654
tors. eta vs tors. theta energy: -90.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -934.637318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.637318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.637318 (E_RNA)
where:
Base-Base interactions energy: -630.393
where: short stacking energy: -283.735
Base-Backbone interact. energy: -0.174
local terms energy: -304.070309
where:
bonds (distance) C4'-P energy: -58.336
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -57.826
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -85.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -922.347614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.347614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.347614 (E_RNA)
where:
Base-Base interactions energy: -634.553
where: short stacking energy: -275.682
Base-Backbone interact. energy: -1.456
local terms energy: -286.339072
where:
bonds (distance) C4'-P energy: -54.916
bonds (distance) P-C4' energy: -54.295
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -38.245
tors. eta vs tors. theta energy: -77.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -877.842477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.842477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.842477 (E_RNA)
where:
Base-Base interactions energy: -598.794
where: short stacking energy: -259.101
Base-Backbone interact. energy: 0.343
local terms energy: -279.391993
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -57.660
flat angles C4'-P-C4' energy: -60.053
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -76.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -793.833144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.833144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.833144 (E_RNA)
where:
Base-Base interactions energy: -531.901
where: short stacking energy: -251.561
Base-Backbone interact. energy: -1.300
local terms energy: -260.631688
where:
bonds (distance) C4'-P energy: -45.980
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -65.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -705.488772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.488772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.488772 (E_RNA)
where:
Base-Base interactions energy: -468.770
where: short stacking energy: -213.365
Base-Backbone interact. energy: -0.473
local terms energy: -236.245627
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -46.231
flat angles P-C4'-P energy: -38.051
tors. eta vs tors. theta energy: -52.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -581.792261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.792261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.792261 (E_RNA)
where:
Base-Base interactions energy: -352.568
where: short stacking energy: -171.480
Base-Backbone interact. energy: -0.222
local terms energy: -229.002827
where:
bonds (distance) C4'-P energy: -53.124
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -56.396
flat angles P-C4'-P energy: -32.700
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -454.941851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.941851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.941851 (E_RNA)
where:
Base-Base interactions energy: -262.071
where: short stacking energy: -132.839
Base-Backbone interact. energy: -1.236
local terms energy: -191.634942
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -51.786
flat angles C4'-P-C4' energy: -44.652
flat angles P-C4'-P energy: -35.477
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -421.434231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.434231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.434231 (E_RNA)
where:
Base-Base interactions energy: -233.950
where: short stacking energy: -113.186
Base-Backbone interact. energy: -0.359
local terms energy: -187.125030
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -56.486
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -357.280231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.280231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.280231 (E_RNA)
where:
Base-Base interactions energy: -186.952
where: short stacking energy: -100.802
Base-Backbone interact. energy: 0.435
local terms energy: -170.763057
where:
bonds (distance) C4'-P energy: -51.678
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -48.056
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -999.225100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.225100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.225100 (E_RNA)
where:
Base-Base interactions energy: -681.785
where: short stacking energy: -305.432
Base-Backbone interact. energy: 0.278
local terms energy: -317.717665
where:
bonds (distance) C4'-P energy: -60.283
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -61.395
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -96.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -927.171704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.171704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.171704 (E_RNA)
where:
Base-Base interactions energy: -629.216
where: short stacking energy: -287.305
Base-Backbone interact. energy: -3.513
local terms energy: -294.442254
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -85.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -925.754880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.754880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.754880 (E_RNA)
where:
Base-Base interactions energy: -648.905
where: short stacking energy: -265.275
Base-Backbone interact. energy: -1.533
local terms energy: -275.316699
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -52.224
flat angles C4'-P-C4' energy: -64.214
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -73.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -839.991062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.991062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.991062 (E_RNA)
where:
Base-Base interactions energy: -560.820
where: short stacking energy: -253.094
Base-Backbone interact. energy: -2.033
local terms energy: -277.138281
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -49.808
flat angles C4'-P-C4' energy: -61.441
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: -68.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -781.620029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.620029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.620029 (E_RNA)
where:
Base-Base interactions energy: -506.910
where: short stacking energy: -226.329
Base-Backbone interact. energy: -1.333
local terms energy: -273.377039
where:
bonds (distance) C4'-P energy: -56.200
bonds (distance) P-C4' energy: -60.623
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -41.080
tors. eta vs tors. theta energy: -60.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -682.692759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.692759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.692759 (E_RNA)
where:
Base-Base interactions energy: -470.436
where: short stacking energy: -193.372
Base-Backbone interact. energy: 0.544
local terms energy: -212.800741
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -48.112
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -37.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -591.015793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.015793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.015793 (E_RNA)
where:
Base-Base interactions energy: -352.588
where: short stacking energy: -177.121
Base-Backbone interact. energy: -0.651
local terms energy: -237.777293
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -59.682
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -40.729
tors. eta vs tors. theta energy: -41.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -479.606814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.606814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.606814 (E_RNA)
where:
Base-Base interactions energy: -301.256
where: short stacking energy: -152.112
Base-Backbone interact. energy: -0.748
local terms energy: -177.602813
where:
bonds (distance) C4'-P energy: -47.027
bonds (distance) P-C4' energy: -43.256
flat angles C4'-P-C4' energy: -31.550
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -439.796006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.796006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.796006 (E_RNA)
where:
Base-Base interactions energy: -262.713
where: short stacking energy: -136.750
Base-Backbone interact. energy: -2.355
local terms energy: -174.728108
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -37.618
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -362.456807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.456807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.456807 (E_RNA)
where:
Base-Base interactions energy: -190.751
where: short stacking energy: -105.994
Base-Backbone interact. energy: 3.650
local terms energy: -175.356117
where:
bonds (distance) C4'-P energy: -40.405
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -996.896169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.896169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.896169 (E_RNA)
where:
Base-Base interactions energy: -675.592
where: short stacking energy: -297.036
Base-Backbone interact. energy: 0.284
local terms energy: -321.588624
where:
bonds (distance) C4'-P energy: -58.978
bonds (distance) P-C4' energy: -61.304
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -45.152
tors. eta vs tors. theta energy: -95.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -933.838081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.838081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.838081 (E_RNA)
where:
Base-Base interactions energy: -665.064
where: short stacking energy: -277.828
Base-Backbone interact. energy: 0.971
local terms energy: -269.745109
where:
bonds (distance) C4'-P energy: -50.925
bonds (distance) P-C4' energy: -49.496
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -46.205
tors. eta vs tors. theta energy: -67.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -922.271453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.271453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.271453 (E_RNA)
where:
Base-Base interactions energy: -634.305
where: short stacking energy: -300.027
Base-Backbone interact. energy: -1.661
local terms energy: -286.305045
where:
bonds (distance) C4'-P energy: -44.081
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -55.257
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -91.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -839.804776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.804776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.804776 (E_RNA)
where:
Base-Base interactions energy: -561.448
where: short stacking energy: -246.418
Base-Backbone interact. energy: -3.224
local terms energy: -275.131920
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -46.470
tors. eta vs tors. theta energy: -70.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -781.892663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.892663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.892663 (E_RNA)
where:
Base-Base interactions energy: -521.776
where: short stacking energy: -236.551
Base-Backbone interact. energy: 0.826
local terms energy: -260.942130
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -51.877
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -61.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -689.055165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.055165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.055165 (E_RNA)
where:
Base-Base interactions energy: -452.866
where: short stacking energy: -192.071
Base-Backbone interact. energy: -1.069
local terms energy: -235.120097
where:
bonds (distance) C4'-P energy: -50.322
bonds (distance) P-C4' energy: -58.520
flat angles C4'-P-C4' energy: -45.276
flat angles P-C4'-P energy: -28.970
tors. eta vs tors. theta energy: -52.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -577.109927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.109927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.109927 (E_RNA)
where:
Base-Base interactions energy: -346.911
where: short stacking energy: -165.577
Base-Backbone interact. energy: 0.555
local terms energy: -230.753467
where:
bonds (distance) C4'-P energy: -58.355
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -36.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -495.834690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.834690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.834690 (E_RNA)
where:
Base-Base interactions energy: -295.413
where: short stacking energy: -133.555
Base-Backbone interact. energy: 1.249
local terms energy: -201.670956
where:
bonds (distance) C4'-P energy: -51.642
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -47.576
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -459.773843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.773843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.773843 (E_RNA)
where:
Base-Base interactions energy: -267.395
where: short stacking energy: -138.745
Base-Backbone interact. energy: -1.174
local terms energy: -191.204925
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -398.781503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.781503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.781503 (E_RNA)
where:
Base-Base interactions energy: -234.230
where: short stacking energy: -127.728
Base-Backbone interact. energy: -0.783
local terms energy: -163.768484
where:
bonds (distance) C4'-P energy: -38.261
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -53.228
flat angles P-C4'-P energy: -17.585
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1003.191617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.191617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.191617 (E_RNA)
where:
Base-Base interactions energy: -681.292
where: short stacking energy: -302.786
Base-Backbone interact. energy: -0.962
local terms energy: -320.937646
where:
bonds (distance) C4'-P energy: -56.190
bonds (distance) P-C4' energy: -55.417
flat angles C4'-P-C4' energy: -65.641
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -95.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -928.398367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.398367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.398367 (E_RNA)
where:
Base-Base interactions energy: -629.097
where: short stacking energy: -264.126
Base-Backbone interact. energy: 2.234
local terms energy: -301.534746
where:
bonds (distance) C4'-P energy: -62.740
bonds (distance) P-C4' energy: -60.873
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -69.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -869.828072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.828072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.828072 (E_RNA)
where:
Base-Base interactions energy: -582.879
where: short stacking energy: -259.884
Base-Backbone interact. energy: -1.620
local terms energy: -285.329011
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -59.057
flat angles C4'-P-C4' energy: -64.823
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -77.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -879.136301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.136301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.136301 (E_RNA)
where:
Base-Base interactions energy: -580.556
where: short stacking energy: -267.318
Base-Backbone interact. energy: -2.466
local terms energy: -296.113632
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -56.746
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -84.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -796.227157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.227157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.227157 (E_RNA)
where:
Base-Base interactions energy: -545.652
where: short stacking energy: -257.879
Base-Backbone interact. energy: -1.060
local terms energy: -249.515521
where:
bonds (distance) C4'-P energy: -48.037
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -56.495
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: -63.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -700.959357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.959357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.959357 (E_RNA)
where:
Base-Base interactions energy: -480.936
where: short stacking energy: -215.519
Base-Backbone interact. energy: -1.183
local terms energy: -218.839921
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -27.136
tors. eta vs tors. theta energy: -48.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -616.454268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.454268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.454268 (E_RNA)
where:
Base-Base interactions energy: -389.936
where: short stacking energy: -184.077
Base-Backbone interact. energy: -0.671
local terms energy: -225.847933
where:
bonds (distance) C4'-P energy: -49.660
bonds (distance) P-C4' energy: -58.802
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -47.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -493.236416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.236416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.236416 (E_RNA)
where:
Base-Base interactions energy: -301.313
where: short stacking energy: -136.144
Base-Backbone interact. energy: -0.256
local terms energy: -191.666503
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -46.671
flat angles C4'-P-C4' energy: -37.058
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -498.100304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.100304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.100304 (E_RNA)
where:
Base-Base interactions energy: -309.874
where: short stacking energy: -129.994
Base-Backbone interact. energy: -0.831
local terms energy: -187.394661
where:
bonds (distance) C4'-P energy: -35.859
bonds (distance) P-C4' energy: -54.550
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -416.123473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.123473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.123473 (E_RNA)
where:
Base-Base interactions energy: -250.319
where: short stacking energy: -126.197
Base-Backbone interact. energy: 0.161
local terms energy: -165.964795
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -48.510
flat angles C4'-P-C4' energy: -40.712
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -997.806955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.806955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.806955 (E_RNA)
where:
Base-Base interactions energy: -692.239
where: short stacking energy: -312.055
Base-Backbone interact. energy: -0.805
local terms energy: -304.763016
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -66.605
flat angles P-C4'-P energy: -43.497
tors. eta vs tors. theta energy: -92.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -927.400522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.400522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.400522 (E_RNA)
where:
Base-Base interactions energy: -629.459
where: short stacking energy: -249.685
Base-Backbone interact. energy: -0.035
local terms energy: -297.906363
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -54.861
flat angles P-C4'-P energy: -53.283
tors. eta vs tors. theta energy: -74.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -851.343913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.343913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.343913 (E_RNA)
where:
Base-Base interactions energy: -561.073
where: short stacking energy: -256.576
Base-Backbone interact. energy: 0.564
local terms energy: -290.834110
where:
bonds (distance) C4'-P energy: -56.778
bonds (distance) P-C4' energy: -55.978
flat angles C4'-P-C4' energy: -59.852
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -70.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -805.462321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.462321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.462321 (E_RNA)
where:
Base-Base interactions energy: -534.582
where: short stacking energy: -245.468
Base-Backbone interact. energy: -0.394
local terms energy: -270.485829
where:
bonds (distance) C4'-P energy: -52.851
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -59.008
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -70.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -802.550076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.550076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.550076 (E_RNA)
where:
Base-Base interactions energy: -548.538
where: short stacking energy: -233.904
Base-Backbone interact. energy: -0.142
local terms energy: -253.870073
where:
bonds (distance) C4'-P energy: -53.577
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -53.789
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -62.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -700.039947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.039947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.039947 (E_RNA)
where:
Base-Base interactions energy: -465.090
where: short stacking energy: -205.243
Base-Backbone interact. energy: -0.516
local terms energy: -234.434002
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -62.048
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -47.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -614.323626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.323626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.323626 (E_RNA)
where:
Base-Base interactions energy: -379.176
where: short stacking energy: -165.512
Base-Backbone interact. energy: -1.561
local terms energy: -233.586690
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -54.125
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -42.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -493.490558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.490558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.490558 (E_RNA)
where:
Base-Base interactions energy: -303.441
where: short stacking energy: -150.862
Base-Backbone interact. energy: 1.566
local terms energy: -191.616039
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -23.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -448.845409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.845409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.845409 (E_RNA)
where:
Base-Base interactions energy: -263.764
where: short stacking energy: -124.335
Base-Backbone interact. energy: -1.066
local terms energy: -184.015703
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -404.969334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.969334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.969334 (E_RNA)
where:
Base-Base interactions energy: -242.283
where: short stacking energy: -114.373
Base-Backbone interact. energy: -0.863
local terms energy: -161.824267
where:
bonds (distance) C4'-P energy: -41.163
bonds (distance) P-C4' energy: -45.510
flat angles C4'-P-C4' energy: -47.757
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -998.505966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.505966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.505966 (E_RNA)
where:
Base-Base interactions energy: -672.912
where: short stacking energy: -313.294
Base-Backbone interact. energy: -0.984
local terms energy: -324.610385
where:
bonds (distance) C4'-P energy: -57.712
bonds (distance) P-C4' energy: -58.882
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -46.213
tors. eta vs tors. theta energy: -93.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -926.720561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.720561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.720561 (E_RNA)
where:
Base-Base interactions energy: -647.903
where: short stacking energy: -280.047
Base-Backbone interact. energy: -0.788
local terms energy: -278.029167
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -45.718
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -45.052
tors. eta vs tors. theta energy: -69.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -863.070609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.070609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.070609 (E_RNA)
where:
Base-Base interactions energy: -599.986
where: short stacking energy: -262.094
Base-Backbone interact. energy: -1.899
local terms energy: -261.186078
where:
bonds (distance) C4'-P energy: -54.168
bonds (distance) P-C4' energy: -41.809
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -67.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -808.722740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.722740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.722740 (E_RNA)
where:
Base-Base interactions energy: -529.623
where: short stacking energy: -234.817
Base-Backbone interact. energy: -1.176
local terms energy: -277.923866
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -57.739
flat angles C4'-P-C4' energy: -61.989
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -65.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -802.350228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.350228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.350228 (E_RNA)
where:
Base-Base interactions energy: -530.778
where: short stacking energy: -234.657
Base-Backbone interact. energy: -0.839
local terms energy: -270.733891
where:
bonds (distance) C4'-P energy: -50.910
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -36.595
tors. eta vs tors. theta energy: -67.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -692.554237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.554237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.554237 (E_RNA)
where:
Base-Base interactions energy: -458.838
where: short stacking energy: -201.509
Base-Backbone interact. energy: -0.521
local terms energy: -233.195729
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -54.604
flat angles C4'-P-C4' energy: -51.093
flat angles P-C4'-P energy: -35.139
tors. eta vs tors. theta energy: -47.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -550.116583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.116583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.116583 (E_RNA)
where:
Base-Base interactions energy: -332.968
where: short stacking energy: -148.476
Base-Backbone interact. energy: -1.862
local terms energy: -215.286763
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -51.476
flat angles C4'-P-C4' energy: -49.579
flat angles P-C4'-P energy: -32.976
tors. eta vs tors. theta energy: -33.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -506.804748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.804748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.804748 (E_RNA)
where:
Base-Base interactions energy: -299.848
where: short stacking energy: -147.713
Base-Backbone interact. energy: 2.032
local terms energy: -208.988627
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -52.524
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -480.963001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.963001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.963001 (E_RNA)
where:
Base-Base interactions energy: -280.049
where: short stacking energy: -139.458
Base-Backbone interact. energy: 0.193
local terms energy: -201.106196
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -42.515
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -342.106563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.106563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.106563 (E_RNA)
where:
Base-Base interactions energy: -177.516
where: short stacking energy: -85.481
Base-Backbone interact. energy: 2.005
local terms energy: -166.595202
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -48.268
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -972.967409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.967409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.967409 (E_RNA)
where:
Base-Base interactions energy: -661.281
where: short stacking energy: -295.773
Base-Backbone interact. energy: 2.678
local terms energy: -314.364224
where:
bonds (distance) C4'-P energy: -61.478
bonds (distance) P-C4' energy: -58.193
flat angles C4'-P-C4' energy: -62.351
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -90.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -926.607973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.607973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.607973 (E_RNA)
where:
Base-Base interactions energy: -633.635
where: short stacking energy: -262.073
Base-Backbone interact. energy: -1.353
local terms energy: -291.620538
where:
bonds (distance) C4'-P energy: -63.346
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -67.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -870.221827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.221827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.221827 (E_RNA)
where:
Base-Base interactions energy: -573.112
where: short stacking energy: -263.532
Base-Backbone interact. energy: -1.599
local terms energy: -295.510941
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -60.071
flat angles C4'-P-C4' energy: -68.488
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -75.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -850.587180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.587180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.587180 (E_RNA)
where:
Base-Base interactions energy: -573.583
where: short stacking energy: -255.888
Base-Backbone interact. energy: -0.255
local terms energy: -276.749034
where:
bonds (distance) C4'-P energy: -47.300
bonds (distance) P-C4' energy: -47.200
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -51.009
tors. eta vs tors. theta energy: -72.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -777.771946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.771946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.771946 (E_RNA)
where:
Base-Base interactions energy: -533.663
where: short stacking energy: -237.734
Base-Backbone interact. energy: -1.169
local terms energy: -242.939822
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -50.895
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -59.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -698.665483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.665483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.665483 (E_RNA)
where:
Base-Base interactions energy: -453.428
where: short stacking energy: -198.022
Base-Backbone interact. energy: -1.356
local terms energy: -243.881138
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -40.477
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -36.017
tors. eta vs tors. theta energy: -56.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -546.615130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.615130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.615130 (E_RNA)
where:
Base-Base interactions energy: -339.569
where: short stacking energy: -163.829
Base-Backbone interact. energy: -2.435
local terms energy: -204.611283
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -56.883
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -36.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -486.718758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.718758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.718758 (E_RNA)
where:
Base-Base interactions energy: -283.353
where: short stacking energy: -118.654
Base-Backbone interact. energy: -0.294
local terms energy: -203.071068
where:
bonds (distance) C4'-P energy: -48.705
bonds (distance) P-C4' energy: -58.773
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -454.337741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.337741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.337741 (E_RNA)
where:
Base-Base interactions energy: -259.810
where: short stacking energy: -131.403
Base-Backbone interact. energy: -1.447
local terms energy: -193.080065
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -265.976284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.976284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.976284 (E_RNA)
where:
Base-Base interactions energy: -105.820
where: short stacking energy: -70.196
Base-Backbone interact. energy: -0.344
local terms energy: -159.811812
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -45.712
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: 5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -980.417140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.417140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.417140 (E_RNA)
where:
Base-Base interactions energy: -663.641
where: short stacking energy: -278.156
Base-Backbone interact. energy: -0.511
local terms energy: -316.265045
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -55.760
flat angles C4'-P-C4' energy: -67.560
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -95.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -930.857539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.857539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.857539 (E_RNA)
where:
Base-Base interactions energy: -644.865
where: short stacking energy: -268.138
Base-Backbone interact. energy: -0.681
local terms energy: -285.311076
where:
bonds (distance) C4'-P energy: -52.113
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -69.304
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -74.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -884.325428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.325428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.325428 (E_RNA)
where:
Base-Base interactions energy: -593.766
where: short stacking energy: -265.891
Base-Backbone interact. energy: -0.979
local terms energy: -289.580675
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -57.665
flat angles C4'-P-C4' energy: -54.981
flat angles P-C4'-P energy: -43.491
tors. eta vs tors. theta energy: -82.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -881.401930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.401930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.401930 (E_RNA)
where:
Base-Base interactions energy: -588.077
where: short stacking energy: -262.156
Base-Backbone interact. energy: -3.860
local terms energy: -289.465443
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -61.193
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -81.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -777.035345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.035345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.035345 (E_RNA)
where:
Base-Base interactions energy: -513.846
where: short stacking energy: -228.415
Base-Backbone interact. energy: -0.505
local terms energy: -262.685144
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -56.336
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: -59.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -724.495459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.495459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.495459 (E_RNA)
where:
Base-Base interactions energy: -479.476
where: short stacking energy: -207.437
Base-Backbone interact. energy: -1.582
local terms energy: -243.437540
where:
bonds (distance) C4'-P energy: -53.450
bonds (distance) P-C4' energy: -46.092
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -59.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -556.256688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.256688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.256688 (E_RNA)
where:
Base-Base interactions energy: -369.451
where: short stacking energy: -152.852
Base-Backbone interact. energy: 2.466
local terms energy: -189.271803
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -50.191
flat angles C4'-P-C4' energy: -39.120
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -25.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -475.328604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.328604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.328604 (E_RNA)
where:
Base-Base interactions energy: -263.840
where: short stacking energy: -137.350
Base-Backbone interact. energy: -2.563
local terms energy: -208.925528
where:
bonds (distance) C4'-P energy: -54.670
bonds (distance) P-C4' energy: -45.089
flat angles C4'-P-C4' energy: -36.873
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -38.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -432.056212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.056212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.056212 (E_RNA)
where:
Base-Base interactions energy: -234.910
where: short stacking energy: -122.237
Base-Backbone interact. energy: -1.476
local terms energy: -195.670431
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -52.477
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -262.432173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.432173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.432173 (E_RNA)
where:
Base-Base interactions energy: -130.526
where: short stacking energy: -88.397
Base-Backbone interact. energy: 0.806
local terms energy: -132.712372
where:
bonds (distance) C4'-P energy: -44.331
bonds (distance) P-C4' energy: -44.594
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: 3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -988.989838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.989838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.989838 (E_RNA)
where:
Base-Base interactions energy: -672.868
where: short stacking energy: -290.874
Base-Backbone interact. energy: -0.323
local terms energy: -315.798498
where:
bonds (distance) C4'-P energy: -50.762
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -61.396
flat angles P-C4'-P energy: -48.361
tors. eta vs tors. theta energy: -94.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -946.747206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.747206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.747206 (E_RNA)
where:
Base-Base interactions energy: -637.155
where: short stacking energy: -284.559
Base-Backbone interact. energy: -0.697
local terms energy: -308.894871
where:
bonds (distance) C4'-P energy: -57.276
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -64.363
flat angles P-C4'-P energy: -43.317
tors. eta vs tors. theta energy: -88.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -882.322626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.322626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.322626 (E_RNA)
where:
Base-Base interactions energy: -600.922
where: short stacking energy: -255.356
Base-Backbone interact. energy: -0.250
local terms energy: -281.150646
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -44.183
tors. eta vs tors. theta energy: -77.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -888.173938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.173938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.173938 (E_RNA)
where:
Base-Base interactions energy: -600.365
where: short stacking energy: -276.730
Base-Backbone interact. energy: -1.520
local terms energy: -286.289279
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -55.669
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -42.419
tors. eta vs tors. theta energy: -84.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -771.962998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.962998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.962998 (E_RNA)
where:
Base-Base interactions energy: -522.204
where: short stacking energy: -221.275
Base-Backbone interact. energy: -0.253
local terms energy: -249.505810
where:
bonds (distance) C4'-P energy: -47.908
bonds (distance) P-C4' energy: -47.076
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -60.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -728.996226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.996226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.996226 (E_RNA)
where:
Base-Base interactions energy: -473.538
where: short stacking energy: -216.194
Base-Backbone interact. energy: -1.700
local terms energy: -253.757816
where:
bonds (distance) C4'-P energy: -36.166
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -60.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -560.552878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.552878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.552878 (E_RNA)
where:
Base-Base interactions energy: -358.405
where: short stacking energy: -168.748
Base-Backbone interact. energy: 1.347
local terms energy: -203.494905
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -24.626
tors. eta vs tors. theta energy: -33.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -464.091623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.091623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.091623 (E_RNA)
where:
Base-Base interactions energy: -272.208
where: short stacking energy: -140.565
Base-Backbone interact. energy: 4.419
local terms energy: -196.302111
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -52.001
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -25.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -438.028981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.028981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.028981 (E_RNA)
where:
Base-Base interactions energy: -250.607
where: short stacking energy: -133.561
Base-Backbone interact. energy: -1.962
local terms energy: -185.459935
where:
bonds (distance) C4'-P energy: -41.636
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -41.849
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -276.043492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.043492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.043492 (E_RNA)
where:
Base-Base interactions energy: -125.045
where: short stacking energy: -76.868
Base-Backbone interact. energy: 3.601
local terms energy: -154.599505
where:
bonds (distance) C4'-P energy: -42.315
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -43.563
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: 4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -951.355499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.355499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.355499 (E_RNA)
where:
Base-Base interactions energy: -648.197
where: short stacking energy: -286.735
Base-Backbone interact. energy: 0.047
local terms energy: -303.205988
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -57.060
flat angles P-C4'-P energy: -47.815
tors. eta vs tors. theta energy: -85.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -976.455277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.455277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.455277 (E_RNA)
where:
Base-Base interactions energy: -668.195
where: short stacking energy: -285.705
Base-Backbone interact. energy: -0.549
local terms energy: -307.710363
where:
bonds (distance) C4'-P energy: -51.181
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -64.674
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -90.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -936.990347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.990347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.990347 (E_RNA)
where:
Base-Base interactions energy: -626.068
where: short stacking energy: -263.152
Base-Backbone interact. energy: -2.303
local terms energy: -308.619156
where:
bonds (distance) C4'-P energy: -59.379
bonds (distance) P-C4' energy: -56.065
flat angles C4'-P-C4' energy: -63.380
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -87.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -869.511814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.511814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.511814 (E_RNA)
where:
Base-Base interactions energy: -578.270
where: short stacking energy: -250.779
Base-Backbone interact. energy: -2.944
local terms energy: -288.297322
where:
bonds (distance) C4'-P energy: -52.426
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -42.844
tors. eta vs tors. theta energy: -73.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -752.414038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.414038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.414038 (E_RNA)
where:
Base-Base interactions energy: -488.044
where: short stacking energy: -216.474
Base-Backbone interact. energy: 0.040
local terms energy: -264.409943
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -56.492
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -70.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -689.891423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.891423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.891423 (E_RNA)
where:
Base-Base interactions energy: -444.158
where: short stacking energy: -199.941
Base-Backbone interact. energy: -0.343
local terms energy: -245.390243
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -53.431
flat angles C4'-P-C4' energy: -49.379
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -595.056859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.056859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.056859 (E_RNA)
where:
Base-Base interactions energy: -378.322
where: short stacking energy: -190.398
Base-Backbone interact. energy: 0.398
local terms energy: -217.132544
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -54.060
flat angles C4'-P-C4' energy: -48.714
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -50.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -549.773320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.773320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.773320 (E_RNA)
where:
Base-Base interactions energy: -337.463
where: short stacking energy: -165.590
Base-Backbone interact. energy: -1.697
local terms energy: -210.613422
where:
bonds (distance) C4'-P energy: -47.535
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -59.099
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -35.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -468.602668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.602668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.602668 (E_RNA)
where:
Base-Base interactions energy: -294.358
where: short stacking energy: -164.972
Base-Backbone interact. energy: 2.089
local terms energy: -176.332693
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -38.416
flat angles C4'-P-C4' energy: -41.179
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -31.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -266.884317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.884317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.884317 (E_RNA)
where:
Base-Base interactions energy: -107.418
where: short stacking energy: -72.910
Base-Backbone interact. energy: 4.719
local terms energy: -164.185244
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -44.825
flat angles C4'-P-C4' energy: -47.965
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -952.171836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.171836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.171836 (E_RNA)
where:
Base-Base interactions energy: -644.116
where: short stacking energy: -292.404
Base-Backbone interact. energy: -0.135
local terms energy: -307.920685
where:
bonds (distance) C4'-P energy: -54.372
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -79.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -982.507922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.507922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.507922 (E_RNA)
where:
Base-Base interactions energy: -679.564
where: short stacking energy: -309.584
Base-Backbone interact. energy: -1.200
local terms energy: -301.743942
where:
bonds (distance) C4'-P energy: -54.893
bonds (distance) P-C4' energy: -59.615
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -91.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -911.058441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.058441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.058441 (E_RNA)
where:
Base-Base interactions energy: -607.997
where: short stacking energy: -282.074
Base-Backbone interact. energy: -0.050
local terms energy: -303.011402
where:
bonds (distance) C4'-P energy: -54.325
bonds (distance) P-C4' energy: -59.624
flat angles C4'-P-C4' energy: -61.449
flat angles P-C4'-P energy: -47.291
tors. eta vs tors. theta energy: -80.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -858.987481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.987481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.987481 (E_RNA)
where:
Base-Base interactions energy: -579.999
where: short stacking energy: -249.631
Base-Backbone interact. energy: -2.546
local terms energy: -276.442416
where:
bonds (distance) C4'-P energy: -41.216
bonds (distance) P-C4' energy: -55.065
flat angles C4'-P-C4' energy: -60.730
flat angles P-C4'-P energy: -38.051
tors. eta vs tors. theta energy: -81.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -769.542808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.542808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.542808 (E_RNA)
where:
Base-Base interactions energy: -510.646
where: short stacking energy: -220.893
Base-Backbone interact. energy: -2.502
local terms energy: -256.394786
where:
bonds (distance) C4'-P energy: -49.682
bonds (distance) P-C4' energy: -55.540
flat angles C4'-P-C4' energy: -58.567
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -55.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -716.920236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.920236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.920236 (E_RNA)
where:
Base-Base interactions energy: -468.244
where: short stacking energy: -205.675
Base-Backbone interact. energy: -1.372
local terms energy: -247.304540
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -47.110
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -57.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -581.404159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.404159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.404159 (E_RNA)
where:
Base-Base interactions energy: -354.909
where: short stacking energy: -180.990
Base-Backbone interact. energy: 1.489
local terms energy: -227.984140
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -51.849
flat angles C4'-P-C4' energy: -55.191
flat angles P-C4'-P energy: -41.526
tors. eta vs tors. theta energy: -41.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -465.150113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.150113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.150113 (E_RNA)
where:
Base-Base interactions energy: -276.700
where: short stacking energy: -127.540
Base-Backbone interact. energy: 1.352
local terms energy: -189.802771
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -50.510
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -538.800908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.800908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.800908 (E_RNA)
where:
Base-Base interactions energy: -330.734
where: short stacking energy: -148.955
Base-Backbone interact. energy: 0.179
local terms energy: -208.245997
where:
bonds (distance) C4'-P energy: -45.071
bonds (distance) P-C4' energy: -50.470
flat angles C4'-P-C4' energy: -49.768
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -32.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -252.190224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.190224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.190224 (E_RNA)
where:
Base-Base interactions energy: -111.839
where: short stacking energy: -75.151
Base-Backbone interact. energy: -0.433
local terms energy: -139.917638
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -48.174
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: 4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -994.486590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.486590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.486590 (E_RNA)
where:
Base-Base interactions energy: -669.605
where: short stacking energy: -301.613
Base-Backbone interact. energy: -0.860
local terms energy: -324.021555
where:
bonds (distance) C4'-P energy: -58.067
bonds (distance) P-C4' energy: -57.787
flat angles C4'-P-C4' energy: -62.708
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: -99.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -931.786701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.786701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.786701 (E_RNA)
where:
Base-Base interactions energy: -641.287
where: short stacking energy: -278.041
Base-Backbone interact. energy: -0.883
local terms energy: -289.616940
where:
bonds (distance) C4'-P energy: -53.188
bonds (distance) P-C4' energy: -46.764
flat angles C4'-P-C4' energy: -63.655
flat angles P-C4'-P energy: -45.945
tors. eta vs tors. theta energy: -80.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -905.876652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.876652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.876652 (E_RNA)
where:
Base-Base interactions energy: -608.714
where: short stacking energy: -247.066
Base-Backbone interact. energy: -1.904
local terms energy: -295.258661
where:
bonds (distance) C4'-P energy: -55.689
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -63.373
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -81.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -878.891194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.891194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.891194 (E_RNA)
where:
Base-Base interactions energy: -586.614
where: short stacking energy: -279.022
Base-Backbone interact. energy: -2.124
local terms energy: -290.153588
where:
bonds (distance) C4'-P energy: -52.737
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -48.679
tors. eta vs tors. theta energy: -81.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -742.087972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.087972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.087972 (E_RNA)
where:
Base-Base interactions energy: -496.230
where: short stacking energy: -219.071
Base-Backbone interact. energy: 0.399
local terms energy: -246.257525
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -55.163
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -60.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -758.329810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.329810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.329810 (E_RNA)
where:
Base-Base interactions energy: -502.064
where: short stacking energy: -213.460
Base-Backbone interact. energy: 0.213
local terms energy: -256.478268
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -62.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -552.132487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.132487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.132487 (E_RNA)
where:
Base-Base interactions energy: -352.680
where: short stacking energy: -161.709
Base-Backbone interact. energy: -1.013
local terms energy: -198.439078
where:
bonds (distance) C4'-P energy: -46.451
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -38.629
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -36.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -476.787079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.787079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.787079 (E_RNA)
where:
Base-Base interactions energy: -273.287
where: short stacking energy: -136.886
Base-Backbone interact. energy: -0.656
local terms energy: -202.843716
where:
bonds (distance) C4'-P energy: -54.418
bonds (distance) P-C4' energy: -49.553
flat angles C4'-P-C4' energy: -38.420
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -531.030531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.030531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.030531 (E_RNA)
where:
Base-Base interactions energy: -327.440
where: short stacking energy: -155.952
Base-Backbone interact. energy: -1.345
local terms energy: -202.245696
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -31.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -284.518908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.518908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.518908 (E_RNA)
where:
Base-Base interactions energy: -107.619
where: short stacking energy: -81.395
Base-Backbone interact. energy: -1.404
local terms energy: -175.496463
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -41.529
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -989.895730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.895730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.895730 (E_RNA)
where:
Base-Base interactions energy: -675.829
where: short stacking energy: -302.833
Base-Backbone interact. energy: 1.104
local terms energy: -315.171331
where:
bonds (distance) C4'-P energy: -53.300
bonds (distance) P-C4' energy: -58.623
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -96.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -942.918321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.918321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.918321 (E_RNA)
where:
Base-Base interactions energy: -653.116
where: short stacking energy: -272.817
Base-Backbone interact. energy: -1.762
local terms energy: -288.040433
where:
bonds (distance) C4'-P energy: -50.312
bonds (distance) P-C4' energy: -52.242
flat angles C4'-P-C4' energy: -52.535
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -89.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -898.676153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.676153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.676153 (E_RNA)
where:
Base-Base interactions energy: -608.878
where: short stacking energy: -261.284
Base-Backbone interact. energy: -1.507
local terms energy: -288.291118
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -51.917
flat angles C4'-P-C4' energy: -58.313
flat angles P-C4'-P energy: -42.509
tors. eta vs tors. theta energy: -79.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -884.530185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.530185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.530185 (E_RNA)
where:
Base-Base interactions energy: -592.387
where: short stacking energy: -282.110
Base-Backbone interact. energy: 0.798
local terms energy: -292.941582
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -65.691
flat angles P-C4'-P energy: -48.004
tors. eta vs tors. theta energy: -78.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -797.782170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.782170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.782170 (E_RNA)
where:
Base-Base interactions energy: -549.412
where: short stacking energy: -250.468
Base-Backbone interact. energy: 2.085
local terms energy: -250.454631
where:
bonds (distance) C4'-P energy: -40.209
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -50.884
flat angles P-C4'-P energy: -40.409
tors. eta vs tors. theta energy: -67.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -751.505765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.505765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.505765 (E_RNA)
where:
Base-Base interactions energy: -514.896
where: short stacking energy: -227.534
Base-Backbone interact. energy: 0.844
local terms energy: -237.454256
where:
bonds (distance) C4'-P energy: -44.263
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -52.089
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -57.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -571.105783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.105783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.105783 (E_RNA)
where:
Base-Base interactions energy: -348.091
where: short stacking energy: -169.802
Base-Backbone interact. energy: -0.885
local terms energy: -222.130146
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: -41.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -517.194886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.194886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.194886 (E_RNA)
where:
Base-Base interactions energy: -321.640
where: short stacking energy: -151.341
Base-Backbone interact. energy: -0.579
local terms energy: -194.976132
where:
bonds (distance) C4'-P energy: -48.210
bonds (distance) P-C4' energy: -48.082
flat angles C4'-P-C4' energy: -42.044
flat angles P-C4'-P energy: -32.132
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -467.098179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.098179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.098179 (E_RNA)
where:
Base-Base interactions energy: -287.077
where: short stacking energy: -131.551
Base-Backbone interact. energy: -1.592
local terms energy: -178.429113
where:
bonds (distance) C4'-P energy: -42.847
bonds (distance) P-C4' energy: -43.693
flat angles C4'-P-C4' energy: -46.010
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -26.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -259.525569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.525569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.525569 (E_RNA)
where:
Base-Base interactions energy: -107.685
where: short stacking energy: -87.722
Base-Backbone interact. energy: 0.856
local terms energy: -152.696664
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: 7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -965.534795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.534795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.534795 (E_RNA)
where:
Base-Base interactions energy: -665.526
where: short stacking energy: -284.146
Base-Backbone interact. energy: -3.425
local terms energy: -296.584183
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -63.454
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -81.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -961.929533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.929533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.929533 (E_RNA)
where:
Base-Base interactions energy: -649.814
where: short stacking energy: -295.751
Base-Backbone interact. energy: -0.341
local terms energy: -311.775246
where:
bonds (distance) C4'-P energy: -57.224
bonds (distance) P-C4' energy: -58.193
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: -88.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -878.455956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.455956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.455956 (E_RNA)
where:
Base-Base interactions energy: -597.028
where: short stacking energy: -271.097
Base-Backbone interact. energy: -1.531
local terms energy: -279.896816
where:
bonds (distance) C4'-P energy: -50.329
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -60.258
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: -82.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -872.848524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.848524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.848524 (E_RNA)
where:
Base-Base interactions energy: -588.995
where: short stacking energy: -267.157
Base-Backbone interact. energy: -1.829
local terms energy: -282.024731
where:
bonds (distance) C4'-P energy: -48.750
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -79.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -789.879320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.879320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.879320 (E_RNA)
where:
Base-Base interactions energy: -531.350
where: short stacking energy: -228.855
Base-Backbone interact. energy: -2.906
local terms energy: -255.623270
where:
bonds (distance) C4'-P energy: -47.496
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -65.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -776.259018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.259018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.259018 (E_RNA)
where:
Base-Base interactions energy: -518.766
where: short stacking energy: -239.063
Base-Backbone interact. energy: -0.656
local terms energy: -256.836965
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -36.795
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -67.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -531.471085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.471085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.471085 (E_RNA)
where:
Base-Base interactions energy: -320.357
where: short stacking energy: -163.732
Base-Backbone interact. energy: -0.265
local terms energy: -210.849665
where:
bonds (distance) C4'-P energy: -43.816
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -59.141
flat angles P-C4'-P energy: -30.976
tors. eta vs tors. theta energy: -25.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -563.286572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.286572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.286572 (E_RNA)
where:
Base-Base interactions energy: -336.650
where: short stacking energy: -168.440
Base-Backbone interact. energy: -1.236
local terms energy: -225.400247
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -48.369
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -443.432278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.432278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.432278 (E_RNA)
where:
Base-Base interactions energy: -285.298
where: short stacking energy: -146.374
Base-Backbone interact. energy: -1.140
local terms energy: -156.993777
where:
bonds (distance) C4'-P energy: -37.016
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -38.802
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -255.312194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.312194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.312194 (E_RNA)
where:
Base-Base interactions energy: -87.841
where: short stacking energy: -75.402
Base-Backbone interact. energy: 3.157
local terms energy: -170.628474
where:
bonds (distance) C4'-P energy: -40.570
bonds (distance) P-C4' energy: -51.150
flat angles C4'-P-C4' energy: -44.444
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -974.163473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.163473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.163473 (E_RNA)
where:
Base-Base interactions energy: -660.107
where: short stacking energy: -284.454
Base-Backbone interact. energy: -2.583
local terms energy: -311.473296
where:
bonds (distance) C4'-P energy: -58.625
bonds (distance) P-C4' energy: -57.583
flat angles C4'-P-C4' energy: -64.248
flat angles P-C4'-P energy: -45.285
tors. eta vs tors. theta energy: -85.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -959.913022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.913022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.913022 (E_RNA)
where:
Base-Base interactions energy: -661.259
where: short stacking energy: -293.628
Base-Backbone interact. energy: 0.130
local terms energy: -298.783443
where:
bonds (distance) C4'-P energy: -51.183
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -67.332
flat angles P-C4'-P energy: -42.277
tors. eta vs tors. theta energy: -85.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -883.387690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.387690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.387690 (E_RNA)
where:
Base-Base interactions energy: -590.500
where: short stacking energy: -257.378
Base-Backbone interact. energy: -0.076
local terms energy: -292.811577
where:
bonds (distance) C4'-P energy: -46.231
bonds (distance) P-C4' energy: -63.857
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -42.446
tors. eta vs tors. theta energy: -77.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -851.955598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.955598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.955598 (E_RNA)
where:
Base-Base interactions energy: -591.805
where: short stacking energy: -257.918
Base-Backbone interact. energy: -1.947
local terms energy: -258.203485
where:
bonds (distance) C4'-P energy: -44.612
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -51.491
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -72.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -778.855050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.855050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.855050 (E_RNA)
where:
Base-Base interactions energy: -521.992
where: short stacking energy: -229.602
Base-Backbone interact. energy: 1.347
local terms energy: -258.210010
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -59.776
flat angles P-C4'-P energy: -41.263
tors. eta vs tors. theta energy: -60.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -720.306522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.306522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.306522 (E_RNA)
where:
Base-Base interactions energy: -490.346
where: short stacking energy: -213.967
Base-Backbone interact. energy: -0.699
local terms energy: -229.261705
where:
bonds (distance) C4'-P energy: -29.800
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -56.845
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -62.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -533.450020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.450020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.450020 (E_RNA)
where:
Base-Base interactions energy: -336.881
where: short stacking energy: -169.492
Base-Backbone interact. energy: -0.305
local terms energy: -196.264765
where:
bonds (distance) C4'-P energy: -38.370
bonds (distance) P-C4' energy: -45.187
flat angles C4'-P-C4' energy: -46.774
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: -36.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -590.504259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.504259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.504259 (E_RNA)
where:
Base-Base interactions energy: -372.009
where: short stacking energy: -176.387
Base-Backbone interact. energy: 1.030
local terms energy: -219.524552
where:
bonds (distance) C4'-P energy: -48.516
bonds (distance) P-C4' energy: -46.862
flat angles C4'-P-C4' energy: -53.221
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -43.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -460.707557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.707557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.707557 (E_RNA)
where:
Base-Base interactions energy: -287.206
where: short stacking energy: -136.811
Base-Backbone interact. energy: -1.906
local terms energy: -171.594993
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -45.211
flat angles C4'-P-C4' energy: -37.635
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -266.691969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.691969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.691969 (E_RNA)
where:
Base-Base interactions energy: -102.024
where: short stacking energy: -75.074
Base-Backbone interact. energy: 0.556
local terms energy: -165.223795
where:
bonds (distance) C4'-P energy: -48.838
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -49.510
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1004.083057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.083057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.083057 (E_RNA)
where:
Base-Base interactions energy: -684.457
where: short stacking energy: -292.846
Base-Backbone interact. energy: -0.389
local terms energy: -319.237960
where:
bonds (distance) C4'-P energy: -63.401
bonds (distance) P-C4' energy: -53.132
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -48.425
tors. eta vs tors. theta energy: -89.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -914.988638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.988638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.988638 (E_RNA)
where:
Base-Base interactions energy: -612.547
where: short stacking energy: -266.658
Base-Backbone interact. energy: -1.586
local terms energy: -300.855070
where:
bonds (distance) C4'-P energy: -61.154
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -54.177
flat angles P-C4'-P energy: -49.615
tors. eta vs tors. theta energy: -78.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -896.531429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.531429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.531429 (E_RNA)
where:
Base-Base interactions energy: -599.404
where: short stacking energy: -271.208
Base-Backbone interact. energy: -2.186
local terms energy: -294.941453
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -85.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -866.786820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.786820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.786820 (E_RNA)
where:
Base-Base interactions energy: -589.855
where: short stacking energy: -249.650
Base-Backbone interact. energy: -0.317
local terms energy: -276.614846
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -51.308
flat angles C4'-P-C4' energy: -55.641
flat angles P-C4'-P energy: -42.367
tors. eta vs tors. theta energy: -79.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -820.624856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.624856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.624856 (E_RNA)
where:
Base-Base interactions energy: -546.661
where: short stacking energy: -238.588
Base-Backbone interact. energy: -1.691
local terms energy: -272.272749
where:
bonds (distance) C4'-P energy: -46.624
bonds (distance) P-C4' energy: -56.283
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: -61.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -725.192484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.192484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.192484 (E_RNA)
where:
Base-Base interactions energy: -483.566
where: short stacking energy: -210.085
Base-Backbone interact. energy: -1.384
local terms energy: -240.242667
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -59.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -589.349584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.349584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.349584 (E_RNA)
where:
Base-Base interactions energy: -364.033
where: short stacking energy: -181.820
Base-Backbone interact. energy: -0.623
local terms energy: -224.693593
where:
bonds (distance) C4'-P energy: -47.318
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -54.373
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: -38.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -554.021099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.021099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.021099 (E_RNA)
where:
Base-Base interactions energy: -325.768
where: short stacking energy: -168.121
Base-Backbone interact. energy: -1.041
local terms energy: -227.211278
where:
bonds (distance) C4'-P energy: -38.549
bonds (distance) P-C4' energy: -59.537
flat angles C4'-P-C4' energy: -52.221
flat angles P-C4'-P energy: -37.619
tors. eta vs tors. theta energy: -39.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -479.547301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.547301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.547301 (E_RNA)
where:
Base-Base interactions energy: -292.344
where: short stacking energy: -149.324
Base-Backbone interact. energy: -0.408
local terms energy: -186.795930
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -51.937
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -33.674
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -229.347331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.347331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.347331 (E_RNA)
where:
Base-Base interactions energy: -79.242
where: short stacking energy: -68.478
Base-Backbone interact. energy: 4.656
local terms energy: -154.762029
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -46.767
flat angles C4'-P-C4' energy: -46.403
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -978.422772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.422772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.422772 (E_RNA)
where:
Base-Base interactions energy: -669.684
where: short stacking energy: -291.603
Base-Backbone interact. energy: -0.792
local terms energy: -307.947162
where:
bonds (distance) C4'-P energy: -50.131
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -63.235
flat angles P-C4'-P energy: -47.438
tors. eta vs tors. theta energy: -89.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -940.902523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.902523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.902523 (E_RNA)
where:
Base-Base interactions energy: -631.184
where: short stacking energy: -283.758
Base-Backbone interact. energy: -1.121
local terms energy: -308.597484
where:
bonds (distance) C4'-P energy: -57.935
bonds (distance) P-C4' energy: -56.202
flat angles C4'-P-C4' energy: -67.205
flat angles P-C4'-P energy: -43.408
tors. eta vs tors. theta energy: -83.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -925.914111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.914111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.914111 (E_RNA)
where:
Base-Base interactions energy: -661.049
where: short stacking energy: -267.795
Base-Backbone interact. energy: -1.294
local terms energy: -263.571296
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -60.301
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -70.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -864.478955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.478955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.478955 (E_RNA)
where:
Base-Base interactions energy: -593.447
where: short stacking energy: -260.137
Base-Backbone interact. energy: -1.057
local terms energy: -269.975024
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -55.876
flat angles C4'-P-C4' energy: -60.693
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -81.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -806.626038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.626038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.626038 (E_RNA)
where:
Base-Base interactions energy: -548.301
where: short stacking energy: -221.898
Base-Backbone interact. energy: -1.757
local terms energy: -256.568201
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -55.766
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -59.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -756.949083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.949083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.949083 (E_RNA)
where:
Base-Base interactions energy: -509.837
where: short stacking energy: -219.162
Base-Backbone interact. energy: -0.854
local terms energy: -246.257976
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -51.736
flat angles C4'-P-C4' energy: -60.658
flat angles P-C4'-P energy: -30.981
tors. eta vs tors. theta energy: -57.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -634.154090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.154090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.154090 (E_RNA)
where:
Base-Base interactions energy: -408.085
where: short stacking energy: -203.893
Base-Backbone interact. energy: -1.058
local terms energy: -225.010241
where:
bonds (distance) C4'-P energy: -58.926
bonds (distance) P-C4' energy: -45.775
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -52.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -543.832418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.832418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.832418 (E_RNA)
where:
Base-Base interactions energy: -348.207
where: short stacking energy: -153.131
Base-Backbone interact. energy: -1.474
local terms energy: -194.151470
where:
bonds (distance) C4'-P energy: -35.316
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -52.377
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -38.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -478.265660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.265660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.265660 (E_RNA)
where:
Base-Base interactions energy: -289.416
where: short stacking energy: -148.330
Base-Backbone interact. energy: -0.165
local terms energy: -188.684492
where:
bonds (distance) C4'-P energy: -40.797
bonds (distance) P-C4' energy: -51.002
flat angles C4'-P-C4' energy: -42.713
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -258.600803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.600803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.600803 (E_RNA)
where:
Base-Base interactions energy: -90.526
where: short stacking energy: -84.536
Base-Backbone interact. energy: -0.486
local terms energy: -167.588195
where:
bonds (distance) C4'-P energy: -51.632
bonds (distance) P-C4' energy: -50.422
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1006.660617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.660617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.660617 (E_RNA)
where:
Base-Base interactions energy: -690.034
where: short stacking energy: -311.848
Base-Backbone interact. energy: -2.079
local terms energy: -314.548074
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -57.539
flat angles C4'-P-C4' energy: -57.504
flat angles P-C4'-P energy: -45.237
tors. eta vs tors. theta energy: -94.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -958.628771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.628771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.628771 (E_RNA)
where:
Base-Base interactions energy: -662.876
where: short stacking energy: -306.263
Base-Backbone interact. energy: -0.893
local terms energy: -294.859851
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -50.285
flat angles C4'-P-C4' energy: -59.460
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -86.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -921.666049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.666049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.666049 (E_RNA)
where:
Base-Base interactions energy: -630.240
where: short stacking energy: -262.476
Base-Backbone interact. energy: -0.907
local terms energy: -290.519067
where:
bonds (distance) C4'-P energy: -60.172
bonds (distance) P-C4' energy: -45.194
flat angles C4'-P-C4' energy: -59.594
flat angles P-C4'-P energy: -47.779
tors. eta vs tors. theta energy: -77.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -872.410091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.410091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.410091 (E_RNA)
where:
Base-Base interactions energy: -578.894
where: short stacking energy: -257.714
Base-Backbone interact. energy: -0.040
local terms energy: -293.475891
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -57.943
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -40.063
tors. eta vs tors. theta energy: -81.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -798.271678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.271678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.271678 (E_RNA)
where:
Base-Base interactions energy: -536.227
where: short stacking energy: -245.700
Base-Backbone interact. energy: 1.556
local terms energy: -263.601323
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -43.980
flat angles C4'-P-C4' energy: -59.522
flat angles P-C4'-P energy: -36.347
tors. eta vs tors. theta energy: -71.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -812.144571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.144571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.144571 (E_RNA)
where:
Base-Base interactions energy: -545.723
where: short stacking energy: -233.538
Base-Backbone interact. energy: 1.140
local terms energy: -267.561748
where:
bonds (distance) C4'-P energy: -53.201
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -56.794
flat angles P-C4'-P energy: -41.697
tors. eta vs tors. theta energy: -66.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -598.844116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.844116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.844116 (E_RNA)
where:
Base-Base interactions energy: -391.910
where: short stacking energy: -182.791
Base-Backbone interact. energy: 4.389
local terms energy: -211.323750
where:
bonds (distance) C4'-P energy: -52.336
bonds (distance) P-C4' energy: -51.654
flat angles C4'-P-C4' energy: -42.131
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: -35.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -535.573118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.573118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.573118 (E_RNA)
where:
Base-Base interactions energy: -325.708
where: short stacking energy: -144.503
Base-Backbone interact. energy: 1.136
local terms energy: -211.001521
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -57.094
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -31.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -497.895833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.895833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.895833 (E_RNA)
where:
Base-Base interactions energy: -314.069
where: short stacking energy: -152.934
Base-Backbone interact. energy: 1.792
local terms energy: -185.619176
where:
bonds (distance) C4'-P energy: -39.509
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -37.865
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -39.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -261.961918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.961918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.961918 (E_RNA)
where:
Base-Base interactions energy: -118.141
where: short stacking energy: -93.845
Base-Backbone interact. energy: 1.165
local terms energy: -144.986296
where:
bonds (distance) C4'-P energy: -42.736
bonds (distance) P-C4' energy: -46.479
flat angles C4'-P-C4' energy: -31.025
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -993.409523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.409523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.409523 (E_RNA)
where:
Base-Base interactions energy: -683.177
where: short stacking energy: -306.202
Base-Backbone interact. energy: -0.624
local terms energy: -309.608728
where:
bonds (distance) C4'-P energy: -55.733
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -65.524
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -91.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -928.415423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.415423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.415423 (E_RNA)
where:
Base-Base interactions energy: -647.323
where: short stacking energy: -271.444
Base-Backbone interact. energy: -0.662
local terms energy: -280.430103
where:
bonds (distance) C4'-P energy: -52.186
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -61.074
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -72.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -902.325064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.325064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.325064 (E_RNA)
where:
Base-Base interactions energy: -605.216
where: short stacking energy: -260.511
Base-Backbone interact. energy: 0.138
local terms energy: -297.247089
where:
bonds (distance) C4'-P energy: -55.343
bonds (distance) P-C4' energy: -48.800
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -47.271
tors. eta vs tors. theta energy: -87.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -855.053739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.053739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.053739 (E_RNA)
where:
Base-Base interactions energy: -571.889
where: short stacking energy: -252.051
Base-Backbone interact. energy: -2.391
local terms energy: -280.773707
where:
bonds (distance) C4'-P energy: -54.819
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -62.508
flat angles P-C4'-P energy: -41.491
tors. eta vs tors. theta energy: -69.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -808.833775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.833775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.833775 (E_RNA)
where:
Base-Base interactions energy: -539.057
where: short stacking energy: -258.913
Base-Backbone interact. energy: -1.371
local terms energy: -268.405449
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -75.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -774.092125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.092125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.092125 (E_RNA)
where:
Base-Base interactions energy: -519.592
where: short stacking energy: -230.116
Base-Backbone interact. energy: -1.238
local terms energy: -253.262319
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -47.558
flat angles C4'-P-C4' energy: -51.274
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -70.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -588.567947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.567947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.567947 (E_RNA)
where:
Base-Base interactions energy: -387.930
where: short stacking energy: -200.647
Base-Backbone interact. energy: -0.792
local terms energy: -199.846696
where:
bonds (distance) C4'-P energy: -43.938
bonds (distance) P-C4' energy: -32.722
flat angles C4'-P-C4' energy: -45.720
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -41.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -526.153023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.153023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.153023 (E_RNA)
where:
Base-Base interactions energy: -312.698
where: short stacking energy: -145.753
Base-Backbone interact. energy: -0.964
local terms energy: -212.491325
where:
bonds (distance) C4'-P energy: -52.082
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -34.591
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -478.159212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.159212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.159212 (E_RNA)
where:
Base-Base interactions energy: -275.096
where: short stacking energy: -119.933
Base-Backbone interact. energy: 0.925
local terms energy: -203.987496
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -34.979
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -301.504827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.504827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.504827 (E_RNA)
where:
Base-Base interactions energy: -146.350
where: short stacking energy: -97.157
Base-Backbone interact. energy: -0.501
local terms energy: -154.654062
where:
bonds (distance) C4'-P energy: -39.758
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -987.535208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.535208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.535208 (E_RNA)
where:
Base-Base interactions energy: -676.762
where: short stacking energy: -300.546
Base-Backbone interact. energy: -0.815
local terms energy: -309.958016
where:
bonds (distance) C4'-P energy: -59.005
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -60.720
flat angles P-C4'-P energy: -46.016
tors. eta vs tors. theta energy: -92.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -940.294384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.294384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.294384 (E_RNA)
where:
Base-Base interactions energy: -645.488
where: short stacking energy: -273.957
Base-Backbone interact. energy: 0.361
local terms energy: -295.166753
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -58.892
flat angles C4'-P-C4' energy: -63.319
flat angles P-C4'-P energy: -48.601
tors. eta vs tors. theta energy: -74.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -902.466426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.466426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.466426 (E_RNA)
where:
Base-Base interactions energy: -607.139
where: short stacking energy: -265.646
Base-Backbone interact. energy: -1.290
local terms energy: -294.037010
where:
bonds (distance) C4'-P energy: -49.698
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -62.771
flat angles P-C4'-P energy: -44.694
tors. eta vs tors. theta energy: -77.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -833.880255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.880255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.880255 (E_RNA)
where:
Base-Base interactions energy: -561.740
where: short stacking energy: -239.977
Base-Backbone interact. energy: -2.192
local terms energy: -269.948551
where:
bonds (distance) C4'-P energy: -44.132
bonds (distance) P-C4' energy: -58.177
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -42.320
tors. eta vs tors. theta energy: -70.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -836.511003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.511003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.511003 (E_RNA)
where:
Base-Base interactions energy: -555.714
where: short stacking energy: -226.312
Base-Backbone interact. energy: -2.037
local terms energy: -278.760754
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -59.635
flat angles C4'-P-C4' energy: -61.107
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -70.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -745.108464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.108464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.108464 (E_RNA)
where:
Base-Base interactions energy: -508.410
where: short stacking energy: -210.547
Base-Backbone interact. energy: 1.312
local terms energy: -238.010399
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -53.543
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -663.999088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.999088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.999088 (E_RNA)
where:
Base-Base interactions energy: -413.468
where: short stacking energy: -194.032
Base-Backbone interact. energy: -1.141
local terms energy: -249.389642
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -60.336
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -54.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -547.243746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.243746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.243746 (E_RNA)
where:
Base-Base interactions energy: -340.710
where: short stacking energy: -169.218
Base-Backbone interact. energy: -1.633
local terms energy: -204.900518
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -44.128
flat angles C4'-P-C4' energy: -55.191
flat angles P-C4'-P energy: -28.621
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -485.138089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.138089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.138089 (E_RNA)
where:
Base-Base interactions energy: -296.270
where: short stacking energy: -160.836
Base-Backbone interact. energy: -2.079
local terms energy: -186.789285
where:
bonds (distance) C4'-P energy: -31.124
bonds (distance) P-C4' energy: -40.030
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -37.838
tors. eta vs tors. theta energy: -29.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -324.389634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.389634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.389634 (E_RNA)
where:
Base-Base interactions energy: -162.643
where: short stacking energy: -76.880
Base-Backbone interact. energy: 0.109
local terms energy: -161.855194
where:
bonds (distance) C4'-P energy: -37.990
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -48.892
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: 6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -998.354296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.354296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.354296 (E_RNA)
where:
Base-Base interactions energy: -686.309
where: short stacking energy: -304.774
Base-Backbone interact. energy: -0.948
local terms energy: -311.097021
where:
bonds (distance) C4'-P energy: -63.063
bonds (distance) P-C4' energy: -55.641
flat angles C4'-P-C4' energy: -65.994
flat angles P-C4'-P energy: -38.075
tors. eta vs tors. theta energy: -88.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -937.357328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.357328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.357328 (E_RNA)
where:
Base-Base interactions energy: -639.593
where: short stacking energy: -267.518
Base-Backbone interact. energy: 0.234
local terms energy: -297.997594
where:
bonds (distance) C4'-P energy: -51.281
bonds (distance) P-C4' energy: -63.459
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -46.264
tors. eta vs tors. theta energy: -75.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -893.042917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.042917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.042917 (E_RNA)
where:
Base-Base interactions energy: -605.925
where: short stacking energy: -272.069
Base-Backbone interact. energy: -1.352
local terms energy: -285.765689
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -75.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -834.520161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.520161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.520161 (E_RNA)
where:
Base-Base interactions energy: -571.051
where: short stacking energy: -254.868
Base-Backbone interact. energy: -2.456
local terms energy: -261.013028
where:
bonds (distance) C4'-P energy: -56.496
bonds (distance) P-C4' energy: -54.655
flat angles C4'-P-C4' energy: -51.092
flat angles P-C4'-P energy: -35.190
tors. eta vs tors. theta energy: -63.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -843.685550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.685550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.685550 (E_RNA)
where:
Base-Base interactions energy: -574.472
where: short stacking energy: -252.796
Base-Backbone interact. energy: -1.134
local terms energy: -268.079822
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -75.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -765.734069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.734069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.734069 (E_RNA)
where:
Base-Base interactions energy: -503.978
where: short stacking energy: -225.486
Base-Backbone interact. energy: 0.778
local terms energy: -262.534195
where:
bonds (distance) C4'-P energy: -53.905
bonds (distance) P-C4' energy: -58.791
flat angles C4'-P-C4' energy: -47.928
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -62.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -610.745469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.745469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.745469 (E_RNA)
where:
Base-Base interactions energy: -389.739
where: short stacking energy: -182.818
Base-Backbone interact. energy: -1.938
local terms energy: -219.069263
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -31.460
tors. eta vs tors. theta energy: -44.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -542.801741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.801741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.801741 (E_RNA)
where:
Base-Base interactions energy: -327.371
where: short stacking energy: -160.124
Base-Backbone interact. energy: -1.064
local terms energy: -214.366587
where:
bonds (distance) C4'-P energy: -47.604
bonds (distance) P-C4' energy: -50.270
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -456.274752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.274752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.274752 (E_RNA)
where:
Base-Base interactions energy: -259.150
where: short stacking energy: -125.740
Base-Backbone interact. energy: 0.995
local terms energy: -198.119747
where:
bonds (distance) C4'-P energy: -44.744
bonds (distance) P-C4' energy: -53.990
flat angles C4'-P-C4' energy: -43.688
flat angles P-C4'-P energy: -36.239
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -375.733281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.733281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.733281 (E_RNA)
where:
Base-Base interactions energy: -191.511
where: short stacking energy: -115.474
Base-Backbone interact. energy: 2.646
local terms energy: -186.867536
where:
bonds (distance) C4'-P energy: -50.925
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1000.388852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.388852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.388852 (E_RNA)
where:
Base-Base interactions energy: -679.560
where: short stacking energy: -311.429
Base-Backbone interact. energy: -0.139
local terms energy: -320.689076
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -62.157
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -94.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -943.064473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.064473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.064473 (E_RNA)
where:
Base-Base interactions energy: -645.966
where: short stacking energy: -263.579
Base-Backbone interact. energy: 0.097
local terms energy: -297.195175
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -84.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -889.599691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.599691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.599691 (E_RNA)
where:
Base-Base interactions energy: -605.196
where: short stacking energy: -268.178
Base-Backbone interact. energy: -0.838
local terms energy: -283.565211
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -59.732
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -44.154
tors. eta vs tors. theta energy: -71.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -875.517453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.517453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.517453 (E_RNA)
where:
Base-Base interactions energy: -580.689
where: short stacking energy: -248.045
Base-Backbone interact. energy: -0.662
local terms energy: -294.166832
where:
bonds (distance) C4'-P energy: -60.682
bonds (distance) P-C4' energy: -56.269
flat angles C4'-P-C4' energy: -67.196
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -78.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -821.842577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.842577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.842577 (E_RNA)
where:
Base-Base interactions energy: -543.422
where: short stacking energy: -253.420
Base-Backbone interact. energy: -1.423
local terms energy: -276.997733
where:
bonds (distance) C4'-P energy: -56.668
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -64.213
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -73.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -808.024297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.024297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.024297 (E_RNA)
where:
Base-Base interactions energy: -540.873
where: short stacking energy: -244.926
Base-Backbone interact. energy: -2.853
local terms energy: -264.298223
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -53.309
flat angles P-C4'-P energy: -49.371
tors. eta vs tors. theta energy: -70.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -559.356913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.356913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.356913 (E_RNA)
where:
Base-Base interactions energy: -351.025
where: short stacking energy: -168.421
Base-Backbone interact. energy: -0.787
local terms energy: -207.544983
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -47.205
flat angles P-C4'-P energy: -31.503
tors. eta vs tors. theta energy: -32.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -586.955258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.955258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.955258 (E_RNA)
where:
Base-Base interactions energy: -373.230
where: short stacking energy: -179.043
Base-Backbone interact. energy: -1.317
local terms energy: -212.408075
where:
bonds (distance) C4'-P energy: -59.735
bonds (distance) P-C4' energy: -46.476
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -29.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -485.760891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.760891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.760891 (E_RNA)
where:
Base-Base interactions energy: -292.875
where: short stacking energy: -151.869
Base-Backbone interact. energy: -1.564
local terms energy: -191.322636
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -31.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -358.433582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.433582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.433582 (E_RNA)
where:
Base-Base interactions energy: -196.874
where: short stacking energy: -109.121
Base-Backbone interact. energy: -1.699
local terms energy: -159.860088
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -43.981
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -24.409
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -988.375472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.375472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.375472 (E_RNA)
where:
Base-Base interactions energy: -690.677
where: short stacking energy: -305.677
Base-Backbone interact. energy: -0.213
local terms energy: -297.484960
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -55.473
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -93.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -921.481188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.481188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.481188 (E_RNA)
where:
Base-Base interactions energy: -620.679
where: short stacking energy: -277.953
Base-Backbone interact. energy: 2.693
local terms energy: -303.495449
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -60.484
flat angles C4'-P-C4' energy: -61.922
flat angles P-C4'-P energy: -42.470
tors. eta vs tors. theta energy: -85.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -923.650305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.650305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.650305 (E_RNA)
where:
Base-Base interactions energy: -624.446
where: short stacking energy: -269.953
Base-Backbone interact. energy: -1.253
local terms energy: -297.951384
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -61.215
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -79.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -843.380269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.380269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.380269 (E_RNA)
where:
Base-Base interactions energy: -563.792
where: short stacking energy: -249.748
Base-Backbone interact. energy: -3.016
local terms energy: -276.572494
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -56.842
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -77.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -808.220753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.220753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.220753 (E_RNA)
where:
Base-Base interactions energy: -535.271
where: short stacking energy: -248.281
Base-Backbone interact. energy: 0.433
local terms energy: -273.382651
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -38.653
tors. eta vs tors. theta energy: -70.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -763.732893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.732893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.732893 (E_RNA)
where:
Base-Base interactions energy: -515.556
where: short stacking energy: -224.453
Base-Backbone interact. energy: -1.085
local terms energy: -247.091450
where:
bonds (distance) C4'-P energy: -48.021
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -65.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -537.799607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.799607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.799607 (E_RNA)
where:
Base-Base interactions energy: -331.781
where: short stacking energy: -161.286
Base-Backbone interact. energy: -0.907
local terms energy: -205.112200
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -41.433
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -31.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -567.544442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.544442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.544442 (E_RNA)
where:
Base-Base interactions energy: -356.651
where: short stacking energy: -185.694
Base-Backbone interact. energy: -2.294
local terms energy: -208.599971
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -40.785
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -45.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -455.993124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.993124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.993124 (E_RNA)
where:
Base-Base interactions energy: -252.030
where: short stacking energy: -130.581
Base-Backbone interact. energy: -0.886
local terms energy: -203.076769
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -54.478
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -343.135886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.135886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.135886 (E_RNA)
where:
Base-Base interactions energy: -180.755
where: short stacking energy: -97.527
Base-Backbone interact. energy: 3.063
local terms energy: -165.443855
where:
bonds (distance) C4'-P energy: -47.242
bonds (distance) P-C4' energy: -52.098
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -995.532773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.532773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.532773 (E_RNA)
where:
Base-Base interactions energy: -700.438
where: short stacking energy: -314.066
Base-Backbone interact. energy: -1.881
local terms energy: -293.213981
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -42.205
flat angles C4'-P-C4' energy: -61.877
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -95.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -935.560669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.560669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.560669 (E_RNA)
where:
Base-Base interactions energy: -630.382
where: short stacking energy: -287.942
Base-Backbone interact. energy: 0.641
local terms energy: -305.819588
where:
bonds (distance) C4'-P energy: -59.503
bonds (distance) P-C4' energy: -51.366
flat angles C4'-P-C4' energy: -68.347
flat angles P-C4'-P energy: -40.271
tors. eta vs tors. theta energy: -86.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -908.524874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.524874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.524874 (E_RNA)
where:
Base-Base interactions energy: -625.571
where: short stacking energy: -277.335
Base-Backbone interact. energy: 1.493
local terms energy: -284.446416
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -58.157
flat angles C4'-P-C4' energy: -51.630
flat angles P-C4'-P energy: -40.686
tors. eta vs tors. theta energy: -80.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -867.542676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.542676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.542676 (E_RNA)
where:
Base-Base interactions energy: -586.676
where: short stacking energy: -248.726
Base-Backbone interact. energy: -0.860
local terms energy: -280.006684
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -44.357
flat angles C4'-P-C4' energy: -66.013
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -77.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -837.235374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.235374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.235374 (E_RNA)
where:
Base-Base interactions energy: -568.000
where: short stacking energy: -242.928
Base-Backbone interact. energy: -0.481
local terms energy: -268.754692
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -47.846
flat angles C4'-P-C4' energy: -56.175
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: -76.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -736.280513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.280513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.280513 (E_RNA)
where:
Base-Base interactions energy: -490.368
where: short stacking energy: -219.200
Base-Backbone interact. energy: 0.497
local terms energy: -246.409979
where:
bonds (distance) C4'-P energy: -58.104
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -31.928
tors. eta vs tors. theta energy: -60.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -595.564357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.564357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.564357 (E_RNA)
where:
Base-Base interactions energy: -368.462
where: short stacking energy: -182.439
Base-Backbone interact. energy: -1.419
local terms energy: -225.683380
where:
bonds (distance) C4'-P energy: -45.059
bonds (distance) P-C4' energy: -49.859
flat angles C4'-P-C4' energy: -42.709
flat angles P-C4'-P energy: -47.506
tors. eta vs tors. theta energy: -40.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -525.684465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.684465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.684465 (E_RNA)
where:
Base-Base interactions energy: -307.895
where: short stacking energy: -156.103
Base-Backbone interact. energy: -1.167
local terms energy: -216.622619
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -55.783
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -481.233716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.233716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.233716 (E_RNA)
where:
Base-Base interactions energy: -281.524
where: short stacking energy: -145.726
Base-Backbone interact. energy: 1.144
local terms energy: -200.853372
where:
bonds (distance) C4'-P energy: -40.347
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -45.664
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -31.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -375.966341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.966341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.966341 (E_RNA)
where:
Base-Base interactions energy: -214.792
where: short stacking energy: -94.162
Base-Backbone interact. energy: 4.380
local terms energy: -165.554687
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -53.365
flat angles C4'-P-C4' energy: -42.142
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -987.303675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.303675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.303675 (E_RNA)
where:
Base-Base interactions energy: -674.303
where: short stacking energy: -307.696
Base-Backbone interact. energy: -1.229
local terms energy: -311.771524
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -55.928
flat angles C4'-P-C4' energy: -61.576
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -100.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -943.327405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.327405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.327405 (E_RNA)
where:
Base-Base interactions energy: -633.780
where: short stacking energy: -292.522
Base-Backbone interact. energy: -0.688
local terms energy: -308.858624
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -59.831
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -44.454
tors. eta vs tors. theta energy: -92.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -929.458983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.458983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.458983 (E_RNA)
where:
Base-Base interactions energy: -662.452
where: short stacking energy: -266.640
Base-Backbone interact. energy: -1.380
local terms energy: -265.626490
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -42.137
tors. eta vs tors. theta energy: -74.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -883.694456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.694456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.694456 (E_RNA)
where:
Base-Base interactions energy: -604.399
where: short stacking energy: -280.616
Base-Backbone interact. energy: -1.961
local terms energy: -277.334177
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -53.258
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -80.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -812.342474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.342474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.342474 (E_RNA)
where:
Base-Base interactions energy: -533.830
where: short stacking energy: -235.208
Base-Backbone interact. energy: -1.353
local terms energy: -277.159720
where:
bonds (distance) C4'-P energy: -52.107
bonds (distance) P-C4' energy: -59.865
flat angles C4'-P-C4' energy: -56.649
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -69.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -742.179554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.179554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.179554 (E_RNA)
where:
Base-Base interactions energy: -502.882
where: short stacking energy: -223.208
Base-Backbone interact. energy: -1.679
local terms energy: -237.618715
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -50.892
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: -59.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -563.949535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.949535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.949535 (E_RNA)
where:
Base-Base interactions energy: -352.228
where: short stacking energy: -176.701
Base-Backbone interact. energy: -0.730
local terms energy: -210.992059
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -48.437
flat angles P-C4'-P energy: -35.573
tors. eta vs tors. theta energy: -32.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -544.341641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.341641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.341641 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -180.786
Base-Backbone interact. energy: -0.652
local terms energy: -199.444894
where:
bonds (distance) C4'-P energy: -44.885
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -28.807
tors. eta vs tors. theta energy: -44.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -537.815852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.815852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.815852 (E_RNA)
where:
Base-Base interactions energy: -338.898
where: short stacking energy: -160.261
Base-Backbone interact. energy: 0.936
local terms energy: -199.853086
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -53.971
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -32.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -374.973446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.973446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.973446 (E_RNA)
where:
Base-Base interactions energy: -232.320
where: short stacking energy: -112.294
Base-Backbone interact. energy: 1.305
local terms energy: -143.958259
where:
bonds (distance) C4'-P energy: -37.878
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -39.258
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: 0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1001.866972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.866972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.866972 (E_RNA)
where:
Base-Base interactions energy: -689.310
where: short stacking energy: -305.141
Base-Backbone interact. energy: 0.971
local terms energy: -313.528330
where:
bonds (distance) C4'-P energy: -54.463
bonds (distance) P-C4' energy: -52.468
flat angles C4'-P-C4' energy: -61.475
flat angles P-C4'-P energy: -47.661
tors. eta vs tors. theta energy: -97.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -930.773735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.773735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.773735 (E_RNA)
where:
Base-Base interactions energy: -632.535
where: short stacking energy: -283.893
Base-Backbone interact. energy: -1.710
local terms energy: -296.528383
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -59.022
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -87.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -929.473052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.473052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.473052 (E_RNA)
where:
Base-Base interactions energy: -638.998
where: short stacking energy: -266.735
Base-Backbone interact. energy: -0.614
local terms energy: -289.860473
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -47.089
tors. eta vs tors. theta energy: -78.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -851.497986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.497986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.497986 (E_RNA)
where:
Base-Base interactions energy: -574.564
where: short stacking energy: -258.051
Base-Backbone interact. energy: -0.316
local terms energy: -276.618507
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -63.867
flat angles P-C4'-P energy: -40.349
tors. eta vs tors. theta energy: -75.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -837.256822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.256822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.256822 (E_RNA)
where:
Base-Base interactions energy: -569.062
where: short stacking energy: -251.188
Base-Backbone interact. energy: 0.027
local terms energy: -268.221915
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -47.067
flat angles C4'-P-C4' energy: -64.460
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -75.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -723.405046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.405046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.405046 (E_RNA)
where:
Base-Base interactions energy: -485.695
where: short stacking energy: -223.953
Base-Backbone interact. energy: 8.541
local terms energy: -246.251302
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -54.549
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -59.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -569.635931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.635931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.635931 (E_RNA)
where:
Base-Base interactions energy: -333.767
where: short stacking energy: -151.705
Base-Backbone interact. energy: -1.787
local terms energy: -234.081111
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -54.583
flat angles C4'-P-C4' energy: -57.882
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -37.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -579.204331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.204331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.204331 (E_RNA)
where:
Base-Base interactions energy: -362.215
where: short stacking energy: -157.225
Base-Backbone interact. energy: -0.985
local terms energy: -216.003576
where:
bonds (distance) C4'-P energy: -42.812
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -47.315
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -44.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -535.326288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.326288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.326288 (E_RNA)
where:
Base-Base interactions energy: -334.568
where: short stacking energy: -163.183
Base-Backbone interact. energy: -0.152
local terms energy: -200.606521
where:
bonds (distance) C4'-P energy: -40.484
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -41.992
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -30.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -340.919439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.919439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.919439 (E_RNA)
where:
Base-Base interactions energy: -193.974
where: short stacking energy: -99.112
Base-Backbone interact. energy: 2.861
local terms energy: -149.806946
where:
bonds (distance) C4'-P energy: -42.491
bonds (distance) P-C4' energy: -53.211
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -999.840785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.840785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.840785 (E_RNA)
where:
Base-Base interactions energy: -674.091
where: short stacking energy: -302.300
Base-Backbone interact. energy: -0.638
local terms energy: -325.111937
where:
bonds (distance) C4'-P energy: -64.663
bonds (distance) P-C4' energy: -64.377
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -95.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -968.012392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.012392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.012392 (E_RNA)
where:
Base-Base interactions energy: -666.534
where: short stacking energy: -272.101
Base-Backbone interact. energy: -2.268
local terms energy: -299.209848
where:
bonds (distance) C4'-P energy: -51.290
bonds (distance) P-C4' energy: -53.147
flat angles C4'-P-C4' energy: -63.224
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -83.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -913.365527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.365527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.365527 (E_RNA)
where:
Base-Base interactions energy: -620.888
where: short stacking energy: -268.951
Base-Backbone interact. energy: -0.115
local terms energy: -292.362626
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -84.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -852.474198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.474198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.474198 (E_RNA)
where:
Base-Base interactions energy: -579.469
where: short stacking energy: -252.048
Base-Backbone interact. energy: -2.833
local terms energy: -270.172013
where:
bonds (distance) C4'-P energy: -48.025
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -37.164
tors. eta vs tors. theta energy: -74.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -837.871919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.871919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.871919 (E_RNA)
where:
Base-Base interactions energy: -575.112
where: short stacking energy: -259.358
Base-Backbone interact. energy: -0.944
local terms energy: -261.815505
where:
bonds (distance) C4'-P energy: -49.952
bonds (distance) P-C4' energy: -47.117
flat angles C4'-P-C4' energy: -60.370
flat angles P-C4'-P energy: -27.487
tors. eta vs tors. theta energy: -76.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -741.099655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.099655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.099655 (E_RNA)
where:
Base-Base interactions energy: -468.783
where: short stacking energy: -211.371
Base-Backbone interact. energy: -0.145
local terms energy: -272.171054
where:
bonds (distance) C4'-P energy: -58.897
bonds (distance) P-C4' energy: -54.909
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -59.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -540.782168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.782168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.782168 (E_RNA)
where:
Base-Base interactions energy: -326.494
where: short stacking energy: -161.373
Base-Backbone interact. energy: -0.339
local terms energy: -213.949125
where:
bonds (distance) C4'-P energy: -44.108
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -50.964
flat angles P-C4'-P energy: -33.025
tors. eta vs tors. theta energy: -35.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -576.560651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.560651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.560651 (E_RNA)
where:
Base-Base interactions energy: -347.542
where: short stacking energy: -170.055
Base-Backbone interact. energy: 2.279
local terms energy: -231.297165
where:
bonds (distance) C4'-P energy: -50.218
bonds (distance) P-C4' energy: -60.379
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -47.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -503.388853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.388853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.388853 (E_RNA)
where:
Base-Base interactions energy: -312.249
where: short stacking energy: -141.626
Base-Backbone interact. energy: 2.001
local terms energy: -193.140746
where:
bonds (distance) C4'-P energy: -50.660
bonds (distance) P-C4' energy: -43.788
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -335.242880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.242880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.242880 (E_RNA)
where:
Base-Base interactions energy: -172.164
where: short stacking energy: -105.990
Base-Backbone interact. energy: -0.402
local terms energy: -162.676733
where:
bonds (distance) C4'-P energy: -41.486
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -50.880
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1005.980450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.980450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.980450 (E_RNA)
where:
Base-Base interactions energy: -696.085
where: short stacking energy: -307.823
Base-Backbone interact. energy: -0.222
local terms energy: -309.674102
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -60.969
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -92.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -986.273045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.273045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.273045 (E_RNA)
where:
Base-Base interactions energy: -707.637
where: short stacking energy: -287.859
Base-Backbone interact. energy: -0.791
local terms energy: -277.845173
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -53.051
flat angles C4'-P-C4' energy: -61.395
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: -84.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -933.483556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.483556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.483556 (E_RNA)
where:
Base-Base interactions energy: -640.618
where: short stacking energy: -278.273
Base-Backbone interact. energy: -0.781
local terms energy: -292.084948
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -60.659
flat angles C4'-P-C4' energy: -65.779
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -86.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -835.178163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.178163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.178163 (E_RNA)
where:
Base-Base interactions energy: -564.959
where: short stacking energy: -241.923
Base-Backbone interact. energy: -2.957
local terms energy: -267.262140
where:
bonds (distance) C4'-P energy: -47.511
bonds (distance) P-C4' energy: -52.102
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -42.398
tors. eta vs tors. theta energy: -67.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -856.210877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.210877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.210877 (E_RNA)
where:
Base-Base interactions energy: -591.384
where: short stacking energy: -263.388
Base-Backbone interact. energy: -1.071
local terms energy: -263.756255
where:
bonds (distance) C4'-P energy: -45.627
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -71.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -749.026430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.026430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.026430 (E_RNA)
where:
Base-Base interactions energy: -507.645
where: short stacking energy: -221.556
Base-Backbone interact. energy: 0.025
local terms energy: -241.406236
where:
bonds (distance) C4'-P energy: -45.591
bonds (distance) P-C4' energy: -47.407
flat angles C4'-P-C4' energy: -59.511
flat angles P-C4'-P energy: -33.283
tors. eta vs tors. theta energy: -55.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -591.911844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.911844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.911844 (E_RNA)
where:
Base-Base interactions energy: -361.181
where: short stacking energy: -178.948
Base-Backbone interact. energy: -0.088
local terms energy: -230.642330
where:
bonds (distance) C4'-P energy: -42.168
bonds (distance) P-C4' energy: -55.419
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -35.045
tors. eta vs tors. theta energy: -44.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -498.815794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.815794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.815794 (E_RNA)
where:
Base-Base interactions energy: -296.495
where: short stacking energy: -161.565
Base-Backbone interact. energy: -0.460
local terms energy: -201.860060
where:
bonds (distance) C4'-P energy: -35.817
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -52.614
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -33.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -503.407364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.407364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.407364 (E_RNA)
where:
Base-Base interactions energy: -323.871
where: short stacking energy: -153.933
Base-Backbone interact. energy: -0.182
local terms energy: -179.354492
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -39.171
flat angles C4'-P-C4' energy: -45.302
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -359.843532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.843532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.843532 (E_RNA)
where:
Base-Base interactions energy: -191.666
where: short stacking energy: -101.817
Base-Backbone interact. energy: 1.425
local terms energy: -169.602770
where:
bonds (distance) C4'-P energy: -45.214
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -11.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1014.536430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.536430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.536430 (E_RNA)
where:
Base-Base interactions energy: -692.249
where: short stacking energy: -318.715
Base-Backbone interact. energy: -0.296
local terms energy: -321.991720
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -58.578
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -48.188
tors. eta vs tors. theta energy: -96.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -931.738895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.738895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.738895 (E_RNA)
where:
Base-Base interactions energy: -617.801
where: short stacking energy: -283.375
Base-Backbone interact. energy: -0.588
local terms energy: -313.350104
where:
bonds (distance) C4'-P energy: -54.079
bonds (distance) P-C4' energy: -60.065
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -46.506
tors. eta vs tors. theta energy: -88.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -954.033979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.033979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.033979 (E_RNA)
where:
Base-Base interactions energy: -664.611
where: short stacking energy: -283.973
Base-Backbone interact. energy: -0.996
local terms energy: -288.426798
where:
bonds (distance) C4'-P energy: -55.039
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -62.871
flat angles P-C4'-P energy: -38.347
tors. eta vs tors. theta energy: -81.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -871.816076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.816076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.816076 (E_RNA)
where:
Base-Base interactions energy: -596.502
where: short stacking energy: -257.117
Base-Backbone interact. energy: -0.206
local terms energy: -275.108375
where:
bonds (distance) C4'-P energy: -55.524
bonds (distance) P-C4' energy: -46.038
flat angles C4'-P-C4' energy: -61.259
flat angles P-C4'-P energy: -39.609
tors. eta vs tors. theta energy: -72.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -858.446147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.446147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.446147 (E_RNA)
where:
Base-Base interactions energy: -583.012
where: short stacking energy: -248.912
Base-Backbone interact. energy: -0.649
local terms energy: -274.784919
where:
bonds (distance) C4'-P energy: -57.018
bonds (distance) P-C4' energy: -43.911
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -38.421
tors. eta vs tors. theta energy: -75.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -747.347873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.347873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.347873 (E_RNA)
where:
Base-Base interactions energy: -497.957
where: short stacking energy: -221.611
Base-Backbone interact. energy: -0.627
local terms energy: -248.764524
where:
bonds (distance) C4'-P energy: -52.133
bonds (distance) P-C4' energy: -55.422
flat angles C4'-P-C4' energy: -51.863
flat angles P-C4'-P energy: -30.342
tors. eta vs tors. theta energy: -59.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -607.693473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.693473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.693473 (E_RNA)
where:
Base-Base interactions energy: -389.135
where: short stacking energy: -183.554
Base-Backbone interact. energy: -0.705
local terms energy: -217.853076
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -44.889
flat angles C4'-P-C4' energy: -53.877
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -498.854524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.854524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.854524 (E_RNA)
where:
Base-Base interactions energy: -290.832
where: short stacking energy: -141.327
Base-Backbone interact. energy: 1.662
local terms energy: -209.684367
where:
bonds (distance) C4'-P energy: -49.331
bonds (distance) P-C4' energy: -50.295
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -448.675358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.675358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.675358 (E_RNA)
where:
Base-Base interactions energy: -253.952
where: short stacking energy: -141.947
Base-Backbone interact. energy: -0.952
local terms energy: -193.771639
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -50.103
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -30.525
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -336.327555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.327555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.327555 (E_RNA)
where:
Base-Base interactions energy: -179.838
where: short stacking energy: -97.985
Base-Backbone interact. energy: -0.964
local terms energy: -155.525318
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -56.921
flat angles C4'-P-C4' energy: -40.703
flat angles P-C4'-P energy: -18.219
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1008.446954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.446954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.446954 (E_RNA)
where:
Base-Base interactions energy: -699.074
where: short stacking energy: -315.276
Base-Backbone interact. energy: -0.328
local terms energy: -309.044907
where:
bonds (distance) C4'-P energy: -40.497
bonds (distance) P-C4' energy: -65.542
flat angles C4'-P-C4' energy: -63.806
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -94.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -925.785259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.785259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.785259 (E_RNA)
where:
Base-Base interactions energy: -627.507
where: short stacking energy: -284.725
Base-Backbone interact. energy: -0.378
local terms energy: -297.900501
where:
bonds (distance) C4'-P energy: -52.058
bonds (distance) P-C4' energy: -54.630
flat angles C4'-P-C4' energy: -66.911
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -85.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -954.504952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.504952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.504952 (E_RNA)
where:
Base-Base interactions energy: -660.848
where: short stacking energy: -266.826
Base-Backbone interact. energy: -2.510
local terms energy: -291.146097
where:
bonds (distance) C4'-P energy: -50.164
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -61.506
flat angles P-C4'-P energy: -47.459
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -879.572935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.572935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.572935 (E_RNA)
where:
Base-Base interactions energy: -601.230
where: short stacking energy: -248.710
Base-Backbone interact. energy: -1.003
local terms energy: -277.339764
where:
bonds (distance) C4'-P energy: -47.000
bonds (distance) P-C4' energy: -53.710
flat angles C4'-P-C4' energy: -59.033
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -75.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -875.744989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.744989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.744989 (E_RNA)
where:
Base-Base interactions energy: -603.780
where: short stacking energy: -256.237
Base-Backbone interact. energy: -1.730
local terms energy: -270.234106
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -56.474
flat angles C4'-P-C4' energy: -60.897
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -72.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -725.727910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.727910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.727910 (E_RNA)
where:
Base-Base interactions energy: -480.818
where: short stacking energy: -213.851
Base-Backbone interact. energy: -0.487
local terms energy: -244.422360
where:
bonds (distance) C4'-P energy: -38.984
bonds (distance) P-C4' energy: -50.656
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -59.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -630.710446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.710446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.710446 (E_RNA)
where:
Base-Base interactions energy: -403.264
where: short stacking energy: -184.234
Base-Backbone interact. energy: -1.463
local terms energy: -225.983290
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -48.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -512.388474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.388474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.388474 (E_RNA)
where:
Base-Base interactions energy: -310.131
where: short stacking energy: -156.322
Base-Backbone interact. energy: -0.727
local terms energy: -201.531359
where:
bonds (distance) C4'-P energy: -45.301
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -28.694
tors. eta vs tors. theta energy: -27.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -490.537205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.537205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.537205 (E_RNA)
where:
Base-Base interactions energy: -283.644
where: short stacking energy: -149.843
Base-Backbone interact. energy: 0.325
local terms energy: -207.218237
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -41.607
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -31.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -344.126430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.126430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.126430 (E_RNA)
where:
Base-Base interactions energy: -196.371
where: short stacking energy: -87.961
Base-Backbone interact. energy: -1.294
local terms energy: -146.462146
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -46.679
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1014.631101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.631101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.631101 (E_RNA)
where:
Base-Base interactions energy: -697.206
where: short stacking energy: -309.229
Base-Backbone interact. energy: -0.414
local terms energy: -317.011159
where:
bonds (distance) C4'-P energy: -53.808
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -44.757
tors. eta vs tors. theta energy: -97.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -939.714564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.714564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.714564 (E_RNA)
where:
Base-Base interactions energy: -627.891
where: short stacking energy: -281.724
Base-Backbone interact. energy: -0.383
local terms energy: -311.441208
where:
bonds (distance) C4'-P energy: -55.552
bonds (distance) P-C4' energy: -59.196
flat angles C4'-P-C4' energy: -66.178
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -88.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -970.422225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.422225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.422225 (E_RNA)
where:
Base-Base interactions energy: -660.316
where: short stacking energy: -270.273
Base-Backbone interact. energy: -0.919
local terms energy: -309.187091
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -57.959
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: -88.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -872.399661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.399661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.399661 (E_RNA)
where:
Base-Base interactions energy: -580.394
where: short stacking energy: -252.447
Base-Backbone interact. energy: -0.428
local terms energy: -291.577780
where:
bonds (distance) C4'-P energy: -55.974
bonds (distance) P-C4' energy: -55.310
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -75.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -857.787419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.787419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.787419 (E_RNA)
where:
Base-Base interactions energy: -576.673
where: short stacking energy: -258.161
Base-Backbone interact. energy: -1.032
local terms energy: -280.082651
where:
bonds (distance) C4'-P energy: -47.991
bonds (distance) P-C4' energy: -48.790
flat angles C4'-P-C4' energy: -63.018
flat angles P-C4'-P energy: -36.900
tors. eta vs tors. theta energy: -83.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -730.492928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.492928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.492928 (E_RNA)
where:
Base-Base interactions energy: -480.252
where: short stacking energy: -211.533
Base-Backbone interact. energy: 0.732
local terms energy: -250.973174
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -57.642
flat angles C4'-P-C4' energy: -50.525
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -56.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -630.702364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.702364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.702364 (E_RNA)
where:
Base-Base interactions energy: -406.665
where: short stacking energy: -187.982
Base-Backbone interact. energy: 0.409
local terms energy: -224.446471
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -55.947
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -26.397
tors. eta vs tors. theta energy: -43.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -543.130681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.130681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.130681 (E_RNA)
where:
Base-Base interactions energy: -350.695
where: short stacking energy: -161.270
Base-Backbone interact. energy: 0.383
local terms energy: -192.818578
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -54.766
flat angles C4'-P-C4' energy: -42.726
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -26.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -435.399878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.399878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.399878 (E_RNA)
where:
Base-Base interactions energy: -239.472
where: short stacking energy: -110.651
Base-Backbone interact. energy: -0.953
local terms energy: -194.974563
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -52.202
flat angles C4'-P-C4' energy: -39.401
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -343.048328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.048328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.048328 (E_RNA)
where:
Base-Base interactions energy: -176.560
where: short stacking energy: -96.917
Base-Backbone interact. energy: 1.349
local terms energy: -167.838081
where:
bonds (distance) C4'-P energy: -51.498
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1011.198562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.198562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.198562 (E_RNA)
where:
Base-Base interactions energy: -693.061
where: short stacking energy: -309.256
Base-Backbone interact. energy: -0.899
local terms energy: -317.238763
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -44.876
tors. eta vs tors. theta energy: -97.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -942.863499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.863499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.863499 (E_RNA)
where:
Base-Base interactions energy: -630.811
where: short stacking energy: -288.530
Base-Backbone interact. energy: -0.734
local terms energy: -311.318440
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -53.118
flat angles C4'-P-C4' energy: -64.118
flat angles P-C4'-P energy: -48.999
tors. eta vs tors. theta energy: -88.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -948.913993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.913993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.913993 (E_RNA)
where:
Base-Base interactions energy: -660.653
where: short stacking energy: -262.442
Base-Backbone interact. energy: 1.090
local terms energy: -289.351150
where:
bonds (distance) C4'-P energy: -59.641
bonds (distance) P-C4' energy: -49.226
flat angles C4'-P-C4' energy: -63.703
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -76.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -851.223019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.223019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.223019 (E_RNA)
where:
Base-Base interactions energy: -577.543
where: short stacking energy: -255.243
Base-Backbone interact. energy: 0.333
local terms energy: -274.012710
where:
bonds (distance) C4'-P energy: -55.921
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -70.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -867.787851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.787851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.787851 (E_RNA)
where:
Base-Base interactions energy: -587.536
where: short stacking energy: -251.251
Base-Backbone interact. energy: -0.543
local terms energy: -279.709212
where:
bonds (distance) C4'-P energy: -48.353
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -33.758
tors. eta vs tors. theta energy: -86.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -752.172315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.172315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.172315 (E_RNA)
where:
Base-Base interactions energy: -492.337
where: short stacking energy: -237.902
Base-Backbone interact. energy: -1.363
local terms energy: -258.472709
where:
bonds (distance) C4'-P energy: -50.879
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -29.482
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -557.584631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.584631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.584631 (E_RNA)
where:
Base-Base interactions energy: -341.699
where: short stacking energy: -158.949
Base-Backbone interact. energy: -1.124
local terms energy: -214.761565
where:
bonds (distance) C4'-P energy: -42.723
bonds (distance) P-C4' energy: -55.483
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -33.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -538.031845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.031845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.031845 (E_RNA)
where:
Base-Base interactions energy: -324.283
where: short stacking energy: -164.106
Base-Backbone interact. energy: 0.585
local terms energy: -214.333178
where:
bonds (distance) C4'-P energy: -50.561
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -51.417
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -34.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -493.149974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.149974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.149974 (E_RNA)
where:
Base-Base interactions energy: -300.462
where: short stacking energy: -144.595
Base-Backbone interact. energy: -1.519
local terms energy: -191.168831
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -44.569
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -348.514955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.514955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.514955 (E_RNA)
where:
Base-Base interactions energy: -187.180
where: short stacking energy: -81.766
Base-Backbone interact. energy: -1.735
local terms energy: -159.600017
where:
bonds (distance) C4'-P energy: -52.926
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: 13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1006.911825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.911825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.911825 (E_RNA)
where:
Base-Base interactions energy: -671.700
where: short stacking energy: -316.078
Base-Backbone interact. energy: -2.757
local terms energy: -332.454890
where:
bonds (distance) C4'-P energy: -64.345
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -69.561
flat angles P-C4'-P energy: -44.737
tors. eta vs tors. theta energy: -95.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -969.050164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.050164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.050164 (E_RNA)
where:
Base-Base interactions energy: -660.115
where: short stacking energy: -275.000
Base-Backbone interact. energy: 0.419
local terms energy: -309.353317
where:
bonds (distance) C4'-P energy: -62.386
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -63.894
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -83.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -913.551894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.551894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.551894 (E_RNA)
where:
Base-Base interactions energy: -627.538
where: short stacking energy: -276.728
Base-Backbone interact. energy: -2.248
local terms energy: -283.765176
where:
bonds (distance) C4'-P energy: -56.000
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -83.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -836.547023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.547023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.547023 (E_RNA)
where:
Base-Base interactions energy: -570.792
where: short stacking energy: -249.406
Base-Backbone interact. energy: -1.043
local terms energy: -264.712350
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -57.263
flat angles C4'-P-C4' energy: -62.779
flat angles P-C4'-P energy: -38.774
tors. eta vs tors. theta energy: -60.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -839.290396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.290396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.290396 (E_RNA)
where:
Base-Base interactions energy: -568.553
where: short stacking energy: -246.490
Base-Backbone interact. energy: -0.801
local terms energy: -269.936788
where:
bonds (distance) C4'-P energy: -52.258
bonds (distance) P-C4' energy: -54.306
flat angles C4'-P-C4' energy: -54.113
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -72.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -730.199908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.199908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.199908 (E_RNA)
where:
Base-Base interactions energy: -493.788
where: short stacking energy: -197.093
Base-Backbone interact. energy: -3.028
local terms energy: -233.384623
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -59.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -569.903458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.903458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.903458 (E_RNA)
where:
Base-Base interactions energy: -372.052
where: short stacking energy: -179.105
Base-Backbone interact. energy: -1.537
local terms energy: -196.314370
where:
bonds (distance) C4'-P energy: -42.698
bonds (distance) P-C4' energy: -39.516
flat angles C4'-P-C4' energy: -46.697
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -36.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -492.810254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.810254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.810254 (E_RNA)
where:
Base-Base interactions energy: -289.857
where: short stacking energy: -142.765
Base-Backbone interact. energy: 3.500
local terms energy: -206.453703
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -44.284
flat angles P-C4'-P energy: -35.939
tors. eta vs tors. theta energy: -32.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -446.911916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.911916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.911916 (E_RNA)
where:
Base-Base interactions energy: -257.575
where: short stacking energy: -133.847
Base-Backbone interact. energy: 0.481
local terms energy: -189.817884
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -43.427
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -338.763924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.763924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.763924 (E_RNA)
where:
Base-Base interactions energy: -182.984
where: short stacking energy: -95.879
Base-Backbone interact. energy: 4.591
local terms energy: -160.370602
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -52.868
flat angles C4'-P-C4' energy: -43.672
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: 5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1003.224189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.224189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.224189 (E_RNA)
where:
Base-Base interactions energy: -692.287
where: short stacking energy: -312.974
Base-Backbone interact. energy: -0.344
local terms energy: -310.592519
where:
bonds (distance) C4'-P energy: -44.800
bonds (distance) P-C4' energy: -59.622
flat angles C4'-P-C4' energy: -59.802
flat angles P-C4'-P energy: -48.666
tors. eta vs tors. theta energy: -97.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -982.366211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.366211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.366211 (E_RNA)
where:
Base-Base interactions energy: -676.192
where: short stacking energy: -275.042
Base-Backbone interact. energy: -1.352
local terms energy: -304.822087
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -59.220
flat angles P-C4'-P energy: -47.817
tors. eta vs tors. theta energy: -79.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -914.198782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.198782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.198782 (E_RNA)
where:
Base-Base interactions energy: -620.537
where: short stacking energy: -288.571
Base-Backbone interact. energy: 0.647
local terms energy: -294.308630
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -51.765
flat angles C4'-P-C4' energy: -62.998
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -85.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -833.553014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.553014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.553014 (E_RNA)
where:
Base-Base interactions energy: -544.619
where: short stacking energy: -247.253
Base-Backbone interact. energy: -0.622
local terms energy: -288.311234
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -76.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -821.722175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.722175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.722175 (E_RNA)
where:
Base-Base interactions energy: -558.511
where: short stacking energy: -258.783
Base-Backbone interact. energy: -0.374
local terms energy: -262.836484
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -57.449
flat angles C4'-P-C4' energy: -48.673
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -67.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -751.310599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.310599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.310599 (E_RNA)
where:
Base-Base interactions energy: -504.203
where: short stacking energy: -225.878
Base-Backbone interact. energy: 2.572
local terms energy: -249.679883
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -38.220
tors. eta vs tors. theta energy: -58.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -543.003021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.003021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.003021 (E_RNA)
where:
Base-Base interactions energy: -321.675
where: short stacking energy: -167.332
Base-Backbone interact. energy: -1.034
local terms energy: -220.294865
where:
bonds (distance) C4'-P energy: -45.250
bonds (distance) P-C4' energy: -52.447
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -38.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -514.896387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.896387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.896387 (E_RNA)
where:
Base-Base interactions energy: -316.156
where: short stacking energy: -166.490
Base-Backbone interact. energy: -0.495
local terms energy: -198.245243
where:
bonds (distance) C4'-P energy: -44.527
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -28.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -467.611769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.611769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.611769 (E_RNA)
where:
Base-Base interactions energy: -271.773
where: short stacking energy: -131.031
Base-Backbone interact. energy: -0.293
local terms energy: -195.545995
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -41.281
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -371.946458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.946458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.946458 (E_RNA)
where:
Base-Base interactions energy: -195.215
where: short stacking energy: -109.741
Base-Backbone interact. energy: -0.562
local terms energy: -176.168919
where:
bonds (distance) C4'-P energy: -44.498
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1008.104605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.104605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.104605 (E_RNA)
where:
Base-Base interactions energy: -688.191
where: short stacking energy: -305.169
Base-Backbone interact. energy: -0.627
local terms energy: -319.286712
where:
bonds (distance) C4'-P energy: -56.900
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -59.606
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -98.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -970.940351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.940351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.940351 (E_RNA)
where:
Base-Base interactions energy: -678.256
where: short stacking energy: -268.754
Base-Backbone interact. energy: -1.994
local terms energy: -290.691282
where:
bonds (distance) C4'-P energy: -44.207
bonds (distance) P-C4' energy: -63.951
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -77.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -922.746960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.746960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.746960 (E_RNA)
where:
Base-Base interactions energy: -622.811
where: short stacking energy: -282.649
Base-Backbone interact. energy: -0.292
local terms energy: -299.644546
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -56.560
flat angles C4'-P-C4' energy: -63.157
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -84.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -841.175759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.175759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.175759 (E_RNA)
where:
Base-Base interactions energy: -556.635
where: short stacking energy: -256.941
Base-Backbone interact. energy: -0.695
local terms energy: -283.846034
where:
bonds (distance) C4'-P energy: -45.270
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -60.449
flat angles P-C4'-P energy: -44.046
tors. eta vs tors. theta energy: -76.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -849.105983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.105983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.105983 (E_RNA)
where:
Base-Base interactions energy: -578.613
where: short stacking energy: -251.492
Base-Backbone interact. energy: -0.845
local terms energy: -269.648460
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -57.605
flat angles P-C4'-P energy: -34.583
tors. eta vs tors. theta energy: -71.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -750.344493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.344493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.344493 (E_RNA)
where:
Base-Base interactions energy: -504.229
where: short stacking energy: -230.099
Base-Backbone interact. energy: -1.216
local terms energy: -244.899330
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -51.579
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -66.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -524.736710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.736710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.736710 (E_RNA)
where:
Base-Base interactions energy: -325.067
where: short stacking energy: -170.936
Base-Backbone interact. energy: -0.596
local terms energy: -199.073676
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -45.313
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -499.675763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.675763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.675763 (E_RNA)
where:
Base-Base interactions energy: -307.812
where: short stacking energy: -144.853
Base-Backbone interact. energy: -2.861
local terms energy: -189.002636
where:
bonds (distance) C4'-P energy: -48.267
bonds (distance) P-C4' energy: -41.669
flat angles C4'-P-C4' energy: -43.598
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -26.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -499.501457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.501457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.501457 (E_RNA)
where:
Base-Base interactions energy: -293.976
where: short stacking energy: -149.459
Base-Backbone interact. energy: -0.792
local terms energy: -204.733370
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -42.556
flat angles C4'-P-C4' energy: -42.416
flat angles P-C4'-P energy: -35.690
tors. eta vs tors. theta energy: -33.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -380.967455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.967455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.967455 (E_RNA)
where:
Base-Base interactions energy: -192.898
where: short stacking energy: -94.094
Base-Backbone interact. energy: -0.504
local terms energy: -187.565272
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -54.856
flat angles P-C4'-P energy: -29.815
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1026.227202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.227202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.227202 (E_RNA)
where:
Base-Base interactions energy: -702.647
where: short stacking energy: -313.749
Base-Backbone interact. energy: -0.183
local terms energy: -323.397877
where:
bonds (distance) C4'-P energy: -47.865
bonds (distance) P-C4' energy: -60.169
flat angles C4'-P-C4' energy: -67.520
flat angles P-C4'-P energy: -49.004
tors. eta vs tors. theta energy: -98.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -980.110478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.110478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.110478 (E_RNA)
where:
Base-Base interactions energy: -684.238
where: short stacking energy: -273.153
Base-Backbone interact. energy: -2.512
local terms energy: -293.360432
where:
bonds (distance) C4'-P energy: -53.728
bonds (distance) P-C4' energy: -53.631
flat angles C4'-P-C4' energy: -67.362
flat angles P-C4'-P energy: -42.587
tors. eta vs tors. theta energy: -76.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -915.868405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.868405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.868405 (E_RNA)
where:
Base-Base interactions energy: -620.846
where: short stacking energy: -257.811
Base-Backbone interact. energy: -1.739
local terms energy: -293.283216
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -57.087
flat angles C4'-P-C4' energy: -61.959
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -87.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -862.665192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.665192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.665192 (E_RNA)
where:
Base-Base interactions energy: -585.377
where: short stacking energy: -259.972
Base-Backbone interact. energy: -1.034
local terms energy: -276.253756
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -75.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -840.673546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.673546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.673546 (E_RNA)
where:
Base-Base interactions energy: -556.254
where: short stacking energy: -259.916
Base-Backbone interact. energy: -0.066
local terms energy: -284.353271
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -63.398
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -74.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -758.259755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.259755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.259755 (E_RNA)
where:
Base-Base interactions energy: -512.327
where: short stacking energy: -235.350
Base-Backbone interact. energy: 0.287
local terms energy: -246.219710
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -66.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -568.280334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.280334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.280334 (E_RNA)
where:
Base-Base interactions energy: -365.910
where: short stacking energy: -156.894
Base-Backbone interact. energy: -1.176
local terms energy: -201.195048
where:
bonds (distance) C4'-P energy: -33.791
bonds (distance) P-C4' energy: -49.056
flat angles C4'-P-C4' energy: -53.227
flat angles P-C4'-P energy: -34.490
tors. eta vs tors. theta energy: -30.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -476.637108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.637108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.637108 (E_RNA)
where:
Base-Base interactions energy: -266.063
where: short stacking energy: -145.251
Base-Backbone interact. energy: 0.287
local terms energy: -210.860885
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -40.684
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: -32.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -527.222291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.222291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.222291 (E_RNA)
where:
Base-Base interactions energy: -314.485
where: short stacking energy: -164.491
Base-Backbone interact. energy: -1.676
local terms energy: -211.061848
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -56.067
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -39.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -377.780589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.780589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.780589 (E_RNA)
where:
Base-Base interactions energy: -217.584
where: short stacking energy: -97.765
Base-Backbone interact. energy: -0.116
local terms energy: -160.080379
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -51.638
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: 5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1020.004249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.004249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.004249 (E_RNA)
where:
Base-Base interactions energy: -701.751
where: short stacking energy: -305.445
Base-Backbone interact. energy: 2.164
local terms energy: -320.417373
where:
bonds (distance) C4'-P energy: -55.642
bonds (distance) P-C4' energy: -64.643
flat angles C4'-P-C4' energy: -61.322
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: -96.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -987.070563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.070563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.070563 (E_RNA)
where:
Base-Base interactions energy: -685.816
where: short stacking energy: -294.039
Base-Backbone interact. energy: -1.661
local terms energy: -299.593353
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -47.525
tors. eta vs tors. theta energy: -81.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -934.333334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.333334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.333334 (E_RNA)
where:
Base-Base interactions energy: -635.281
where: short stacking energy: -280.709
Base-Backbone interact. energy: -1.408
local terms energy: -297.643564
where:
bonds (distance) C4'-P energy: -45.064
bonds (distance) P-C4' energy: -52.698
flat angles C4'-P-C4' energy: -68.307
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -88.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -853.194595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.194595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.194595 (E_RNA)
where:
Base-Base interactions energy: -575.808
where: short stacking energy: -254.316
Base-Backbone interact. energy: -1.980
local terms energy: -275.406805
where:
bonds (distance) C4'-P energy: -50.025
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -63.745
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -69.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -832.184286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.184286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.184286 (E_RNA)
where:
Base-Base interactions energy: -555.535
where: short stacking energy: -244.010
Base-Backbone interact. energy: -1.532
local terms energy: -275.117152
where:
bonds (distance) C4'-P energy: -53.993
bonds (distance) P-C4' energy: -53.977
flat angles C4'-P-C4' energy: -58.261
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -71.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -731.498038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.498038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.498038 (E_RNA)
where:
Base-Base interactions energy: -489.605
where: short stacking energy: -208.525
Base-Backbone interact. energy: -1.141
local terms energy: -240.752046
where:
bonds (distance) C4'-P energy: -45.467
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -55.231
flat angles P-C4'-P energy: -35.466
tors. eta vs tors. theta energy: -53.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -661.103715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.103715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.103715 (E_RNA)
where:
Base-Base interactions energy: -427.880
where: short stacking energy: -200.820
Base-Backbone interact. energy: 0.458
local terms energy: -233.681749
where:
bonds (distance) C4'-P energy: -52.319
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -53.783
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -42.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -534.628241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.628241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.628241 (E_RNA)
where:
Base-Base interactions energy: -313.144
where: short stacking energy: -161.253
Base-Backbone interact. energy: 2.852
local terms energy: -224.336622
where:
bonds (distance) C4'-P energy: -47.168
bonds (distance) P-C4' energy: -46.532
flat angles C4'-P-C4' energy: -54.025
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -32.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -487.155381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.155381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.155381 (E_RNA)
where:
Base-Base interactions energy: -298.689
where: short stacking energy: -157.267
Base-Backbone interact. energy: -1.247
local terms energy: -187.220048
where:
bonds (distance) C4'-P energy: -29.277
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -45.167
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -381.512658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.512658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.512658 (E_RNA)
where:
Base-Base interactions energy: -225.799
where: short stacking energy: -120.748
Base-Backbone interact. energy: 0.472
local terms energy: -156.185110
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -42.875
flat angles C4'-P-C4' energy: -39.719
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1013.040309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.040309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.040309 (E_RNA)
where:
Base-Base interactions energy: -689.206
where: short stacking energy: -292.499
Base-Backbone interact. energy: -1.266
local terms energy: -322.567660
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -62.396
flat angles C4'-P-C4' energy: -64.635
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -93.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -970.731010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.731010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.731010 (E_RNA)
where:
Base-Base interactions energy: -685.278
where: short stacking energy: -282.432
Base-Backbone interact. energy: -0.099
local terms energy: -285.354156
where:
bonds (distance) C4'-P energy: -43.577
bonds (distance) P-C4' energy: -57.924
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -81.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -898.165286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.165286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.165286 (E_RNA)
where:
Base-Base interactions energy: -610.525
where: short stacking energy: -281.352
Base-Backbone interact. energy: -0.258
local terms energy: -287.382609
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -52.980
flat angles P-C4'-P energy: -39.684
tors. eta vs tors. theta energy: -87.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -866.594118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.594118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.594118 (E_RNA)
where:
Base-Base interactions energy: -574.397
where: short stacking energy: -240.149
Base-Backbone interact. energy: -2.587
local terms energy: -289.609425
where:
bonds (distance) C4'-P energy: -56.040
bonds (distance) P-C4' energy: -45.702
flat angles C4'-P-C4' energy: -65.236
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -75.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -770.902215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.902215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.902215 (E_RNA)
where:
Base-Base interactions energy: -523.830
where: short stacking energy: -230.215
Base-Backbone interact. energy: -1.057
local terms energy: -246.015253
where:
bonds (distance) C4'-P energy: -47.137
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -56.488
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -55.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -731.731135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.731135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.731135 (E_RNA)
where:
Base-Base interactions energy: -483.908
where: short stacking energy: -228.000
Base-Backbone interact. energy: -1.240
local terms energy: -246.583476
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -47.052
flat angles C4'-P-C4' energy: -60.865
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -62.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -613.258211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.258211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.258211 (E_RNA)
where:
Base-Base interactions energy: -382.792
where: short stacking energy: -181.420
Base-Backbone interact. energy: 1.795
local terms energy: -232.261076
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -63.201
flat angles C4'-P-C4' energy: -45.717
flat angles P-C4'-P energy: -40.769
tors. eta vs tors. theta energy: -35.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -520.180497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.180497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.180497 (E_RNA)
where:
Base-Base interactions energy: -304.866
where: short stacking energy: -150.284
Base-Backbone interact. energy: -0.887
local terms energy: -214.427282
where:
bonds (distance) C4'-P energy: -50.012
bonds (distance) P-C4' energy: -52.856
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -31.009
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -469.193448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.193448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.193448 (E_RNA)
where:
Base-Base interactions energy: -269.794
where: short stacking energy: -137.912
Base-Backbone interact. energy: -2.543
local terms energy: -196.856640
where:
bonds (distance) C4'-P energy: -48.694
bonds (distance) P-C4' energy: -50.682
flat angles C4'-P-C4' energy: -46.861
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -28.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -364.016948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.016948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.016948 (E_RNA)
where:
Base-Base interactions energy: -204.427
where: short stacking energy: -113.854
Base-Backbone interact. energy: 1.578
local terms energy: -161.168352
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -44.612
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1006.749717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.749717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.749717 (E_RNA)
where:
Base-Base interactions energy: -706.642
where: short stacking energy: -290.141
Base-Backbone interact. energy: -0.142
local terms energy: -299.965321
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -58.150
flat angles C4'-P-C4' energy: -63.176
flat angles P-C4'-P energy: -43.387
tors. eta vs tors. theta energy: -91.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -980.731732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.731732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.731732 (E_RNA)
where:
Base-Base interactions energy: -687.310
where: short stacking energy: -286.279
Base-Backbone interact. energy: 0.407
local terms energy: -293.828962
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -49.454
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -48.140
tors. eta vs tors. theta energy: -86.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -905.444198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.444198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.444198 (E_RNA)
where:
Base-Base interactions energy: -606.740
where: short stacking energy: -268.074
Base-Backbone interact. energy: -0.605
local terms energy: -298.099419
where:
bonds (distance) C4'-P energy: -50.938
bonds (distance) P-C4' energy: -62.428
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -80.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -865.348574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.348574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.348574 (E_RNA)
where:
Base-Base interactions energy: -576.456
where: short stacking energy: -263.428
Base-Backbone interact. energy: -2.489
local terms energy: -286.403448
where:
bonds (distance) C4'-P energy: -55.377
bonds (distance) P-C4' energy: -59.365
flat angles C4'-P-C4' energy: -55.650
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -73.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -775.353582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.353582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.353582 (E_RNA)
where:
Base-Base interactions energy: -526.406
where: short stacking energy: -224.881
Base-Backbone interact. energy: -0.954
local terms energy: -247.993814
where:
bonds (distance) C4'-P energy: -45.765
bonds (distance) P-C4' energy: -52.653
flat angles C4'-P-C4' energy: -58.587
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -58.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -731.695074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.695074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.695074 (E_RNA)
where:
Base-Base interactions energy: -492.919
where: short stacking energy: -203.143
Base-Backbone interact. energy: -1.794
local terms energy: -236.982025
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -53.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -615.562658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.562658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.562658 (E_RNA)
where:
Base-Base interactions energy: -397.190
where: short stacking energy: -187.060
Base-Backbone interact. energy: -0.830
local terms energy: -217.541983
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -39.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -447.769286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.769286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.769286 (E_RNA)
where:
Base-Base interactions energy: -259.138
where: short stacking energy: -134.121
Base-Backbone interact. energy: -0.586
local terms energy: -188.045669
where:
bonds (distance) C4'-P energy: -48.398
bonds (distance) P-C4' energy: -41.647
flat angles C4'-P-C4' energy: -42.013
flat angles P-C4'-P energy: -34.642
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -456.299189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.299189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.299189 (E_RNA)
where:
Base-Base interactions energy: -277.634
where: short stacking energy: -154.243
Base-Backbone interact. energy: -0.882
local terms energy: -177.783538
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -49.873
flat angles C4'-P-C4' energy: -38.543
flat angles P-C4'-P energy: -25.269
tors. eta vs tors. theta energy: -27.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -344.877202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.877202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.877202 (E_RNA)
where:
Base-Base interactions energy: -176.192
where: short stacking energy: -93.439
Base-Backbone interact. energy: 1.640
local terms energy: -170.325167
where:
bonds (distance) C4'-P energy: -39.561
bonds (distance) P-C4' energy: -48.030
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1008.927918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.927918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.927918 (E_RNA)
where:
Base-Base interactions energy: -699.884
where: short stacking energy: -313.386
Base-Backbone interact. energy: -1.464
local terms energy: -307.579734
where:
bonds (distance) C4'-P energy: -51.996
bonds (distance) P-C4' energy: -62.102
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -93.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -976.352473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.352473 (E_RNA)
where:
Base-Base interactions energy: -678.269
where: short stacking energy: -270.359
Base-Backbone interact. energy: 0.521
local terms energy: -298.605169
where:
bonds (distance) C4'-P energy: -56.965
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -53.417
tors. eta vs tors. theta energy: -77.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -928.112959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.112959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.112959 (E_RNA)
where:
Base-Base interactions energy: -624.853
where: short stacking energy: -276.301
Base-Backbone interact. energy: -0.400
local terms energy: -302.859898
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -58.983
flat angles C4'-P-C4' energy: -63.286
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -82.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -833.777238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.777238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.777238 (E_RNA)
where:
Base-Base interactions energy: -565.423
where: short stacking energy: -235.538
Base-Backbone interact. energy: -1.929
local terms energy: -266.424963
where:
bonds (distance) C4'-P energy: -42.270
bonds (distance) P-C4' energy: -54.470
flat angles C4'-P-C4' energy: -56.734
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -71.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -787.692038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.692038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.692038 (E_RNA)
where:
Base-Base interactions energy: -539.721
where: short stacking energy: -218.616
Base-Backbone interact. energy: -4.600
local terms energy: -243.370782
where:
bonds (distance) C4'-P energy: -45.134
bonds (distance) P-C4' energy: -52.033
flat angles C4'-P-C4' energy: -50.647
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -64.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -731.679896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.679896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.679896 (E_RNA)
where:
Base-Base interactions energy: -489.455
where: short stacking energy: -213.267
Base-Backbone interact. energy: -1.340
local terms energy: -240.884873
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -61.071
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -56.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -660.372896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.372896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.372896 (E_RNA)
where:
Base-Base interactions energy: -438.191
where: short stacking energy: -181.122
Base-Backbone interact. energy: -2.172
local terms energy: -220.009602
where:
bonds (distance) C4'-P energy: -51.641
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -44.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -494.081507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.081507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.081507 (E_RNA)
where:
Base-Base interactions energy: -292.886
where: short stacking energy: -137.455
Base-Backbone interact. energy: -1.168
local terms energy: -200.027881
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -45.840
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -493.244337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.244337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.244337 (E_RNA)
where:
Base-Base interactions energy: -303.451
where: short stacking energy: -150.096
Base-Backbone interact. energy: 2.967
local terms energy: -192.761332
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -38.046
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -32.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -354.167312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.167312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.167312 (E_RNA)
where:
Base-Base interactions energy: -190.364
where: short stacking energy: -94.825
Base-Backbone interact. energy: -1.842
local terms energy: -161.961307
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -48.735
flat angles C4'-P-C4' energy: -35.652
flat angles P-C4'-P energy: -29.723
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1007.698706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.698706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.698706 (E_RNA)
where:
Base-Base interactions energy: -688.029
where: short stacking energy: -305.294
Base-Backbone interact. energy: 0.363
local terms energy: -320.032665
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -57.411
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -48.516
tors. eta vs tors. theta energy: -98.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -975.576422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.576422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.576422 (E_RNA)
where:
Base-Base interactions energy: -687.663
where: short stacking energy: -280.660
Base-Backbone interact. energy: 0.702
local terms energy: -288.615131
where:
bonds (distance) C4'-P energy: -52.368
bonds (distance) P-C4' energy: -46.726
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -86.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -907.290784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.290784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.290784 (E_RNA)
where:
Base-Base interactions energy: -608.425
where: short stacking energy: -278.184
Base-Backbone interact. energy: -2.479
local terms energy: -296.386488
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -68.978
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -83.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -838.764395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.764395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.764395 (E_RNA)
where:
Base-Base interactions energy: -565.227
where: short stacking energy: -246.654
Base-Backbone interact. energy: -1.699
local terms energy: -271.838162
where:
bonds (distance) C4'-P energy: -46.033
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -58.248
flat angles P-C4'-P energy: -32.436
tors. eta vs tors. theta energy: -79.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -789.639536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.639536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.639536 (E_RNA)
where:
Base-Base interactions energy: -534.063
where: short stacking energy: -213.545
Base-Backbone interact. energy: -1.220
local terms energy: -254.356433
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -51.021
flat angles C4'-P-C4' energy: -61.945
flat angles P-C4'-P energy: -35.011
tors. eta vs tors. theta energy: -56.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -759.841402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.841402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.841402 (E_RNA)
where:
Base-Base interactions energy: -501.351
where: short stacking energy: -213.139
Base-Backbone interact. energy: -0.588
local terms energy: -257.903077
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -58.487
flat angles C4'-P-C4' energy: -50.499
flat angles P-C4'-P energy: -38.094
tors. eta vs tors. theta energy: -58.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -643.443991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.443991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.443991 (E_RNA)
where:
Base-Base interactions energy: -425.050
where: short stacking energy: -189.120
Base-Backbone interact. energy: 2.550
local terms energy: -220.944350
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -63.058
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -45.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -501.912241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.912241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.912241 (E_RNA)
where:
Base-Base interactions energy: -304.987
where: short stacking energy: -168.141
Base-Backbone interact. energy: -2.363
local terms energy: -194.561449
where:
bonds (distance) C4'-P energy: -47.408
bonds (distance) P-C4' energy: -38.212
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -36.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -489.632492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.632492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.632492 (E_RNA)
where:
Base-Base interactions energy: -285.323
where: short stacking energy: -141.286
Base-Backbone interact. energy: -0.592
local terms energy: -203.718208
where:
bonds (distance) C4'-P energy: -50.768
bonds (distance) P-C4' energy: -45.828
flat angles C4'-P-C4' energy: -48.315
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -313.078492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.078492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.078492 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -81.976
Base-Backbone interact. energy: 2.634
local terms energy: -146.843311
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -42.068
flat angles C4'-P-C4' energy: -37.965
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: 3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1007.253398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.253398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.253398 (E_RNA)
where:
Base-Base interactions energy: -691.692
where: short stacking energy: -299.818
Base-Backbone interact. energy: -0.417
local terms energy: -315.144044
where:
bonds (distance) C4'-P energy: -52.464
bonds (distance) P-C4' energy: -61.896
flat angles C4'-P-C4' energy: -65.122
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -90.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -967.652248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.652248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.652248 (E_RNA)
where:
Base-Base interactions energy: -678.523
where: short stacking energy: -299.509
Base-Backbone interact. energy: -0.123
local terms energy: -289.006299
where:
bonds (distance) C4'-P energy: -47.962
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -66.914
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -79.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -896.579820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.579820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.579820 (E_RNA)
where:
Base-Base interactions energy: -612.449
where: short stacking energy: -267.796
Base-Backbone interact. energy: -0.343
local terms energy: -283.787900
where:
bonds (distance) C4'-P energy: -51.010
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -58.455
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -870.288259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.288259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.288259 (E_RNA)
where:
Base-Base interactions energy: -604.431
where: short stacking energy: -257.423
Base-Backbone interact. energy: 0.670
local terms energy: -266.528111
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -72.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -763.288279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.288279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.288279 (E_RNA)
where:
Base-Base interactions energy: -485.986
where: short stacking energy: -206.767
Base-Backbone interact. energy: -0.612
local terms energy: -276.690347
where:
bonds (distance) C4'-P energy: -58.205
bonds (distance) P-C4' energy: -64.046
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -55.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -743.092443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.092443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.092443 (E_RNA)
where:
Base-Base interactions energy: -496.815
where: short stacking energy: -232.402
Base-Backbone interact. energy: 1.176
local terms energy: -247.452964
where:
bonds (distance) C4'-P energy: -40.779
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -53.597
flat angles P-C4'-P energy: -33.171
tors. eta vs tors. theta energy: -69.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -618.713158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.713158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.713158 (E_RNA)
where:
Base-Base interactions energy: -408.157
where: short stacking energy: -171.464
Base-Backbone interact. energy: -1.814
local terms energy: -208.741691
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -33.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -470.280861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.280861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.280861 (E_RNA)
where:
Base-Base interactions energy: -275.676
where: short stacking energy: -120.169
Base-Backbone interact. energy: -2.174
local terms energy: -192.430780
where:
bonds (distance) C4'-P energy: -44.659
bonds (distance) P-C4' energy: -56.870
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -456.065402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.065402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.065402 (E_RNA)
where:
Base-Base interactions energy: -269.551
where: short stacking energy: -148.458
Base-Backbone interact. energy: 0.950
local terms energy: -187.464298
where:
bonds (distance) C4'-P energy: -47.592
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -41.360
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -343.358806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.358806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.358806 (E_RNA)
where:
Base-Base interactions energy: -182.891
where: short stacking energy: -116.178
Base-Backbone interact. energy: -0.378
local terms energy: -160.090296
where:
bonds (distance) C4'-P energy: -33.436
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -42.646
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1019.515776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.515776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.515776 (E_RNA)
where:
Base-Base interactions energy: -701.500
where: short stacking energy: -299.759
Base-Backbone interact. energy: -0.892
local terms energy: -317.124184
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -64.237
flat angles C4'-P-C4' energy: -64.690
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -95.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -971.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.468754 (E_RNA)
where:
Base-Base interactions energy: -675.261
where: short stacking energy: -284.873
Base-Backbone interact. energy: -1.109
local terms energy: -295.098914
where:
bonds (distance) C4'-P energy: -63.875
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -58.309
flat angles P-C4'-P energy: -42.223
tors. eta vs tors. theta energy: -82.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -891.710015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.710015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.710015 (E_RNA)
where:
Base-Base interactions energy: -602.594
where: short stacking energy: -284.731
Base-Backbone interact. energy: -0.529
local terms energy: -288.586206
where:
bonds (distance) C4'-P energy: -42.584
bonds (distance) P-C4' energy: -56.584
flat angles C4'-P-C4' energy: -66.403
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -80.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -872.077032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.077032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.077032 (E_RNA)
where:
Base-Base interactions energy: -597.177
where: short stacking energy: -255.918
Base-Backbone interact. energy: -0.256
local terms energy: -274.644460
where:
bonds (distance) C4'-P energy: -54.829
bonds (distance) P-C4' energy: -44.437
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -72.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -751.698224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.698224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.698224 (E_RNA)
where:
Base-Base interactions energy: -507.367
where: short stacking energy: -227.592
Base-Backbone interact. energy: -0.849
local terms energy: -243.481978
where:
bonds (distance) C4'-P energy: -51.317
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -36.418
tors. eta vs tors. theta energy: -53.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -744.432299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.432299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.432299 (E_RNA)
where:
Base-Base interactions energy: -492.853
where: short stacking energy: -230.626
Base-Backbone interact. energy: 2.580
local terms energy: -254.158905
where:
bonds (distance) C4'-P energy: -56.820
bonds (distance) P-C4' energy: -45.082
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -59.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -671.427474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.427474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.427474 (E_RNA)
where:
Base-Base interactions energy: -435.227
where: short stacking energy: -206.927
Base-Backbone interact. energy: 1.813
local terms energy: -238.014057
where:
bonds (distance) C4'-P energy: -49.192
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -58.058
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -41.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -465.854431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.854431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.854431 (E_RNA)
where:
Base-Base interactions energy: -260.554
where: short stacking energy: -135.805
Base-Backbone interact. energy: -0.749
local terms energy: -204.551302
where:
bonds (distance) C4'-P energy: -48.082
bonds (distance) P-C4' energy: -53.112
flat angles C4'-P-C4' energy: -47.536
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -28.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -452.908901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.908901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.908901 (E_RNA)
where:
Base-Base interactions energy: -279.034
where: short stacking energy: -161.612
Base-Backbone interact. energy: 0.808
local terms energy: -174.682834
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -36.583
flat angles C4'-P-C4' energy: -37.126
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: -24.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -335.222962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.222962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.222962 (E_RNA)
where:
Base-Base interactions energy: -189.182
where: short stacking energy: -110.475
Base-Backbone interact. energy: 2.960
local terms energy: -149.001270
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -45.221
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -990.648474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.648474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.648474 (E_RNA)
where:
Base-Base interactions energy: -682.814
where: short stacking energy: -295.897
Base-Backbone interact. energy: -0.621
local terms energy: -307.213455
where:
bonds (distance) C4'-P energy: -54.327
bonds (distance) P-C4' energy: -56.539
flat angles C4'-P-C4' energy: -57.959
flat angles P-C4'-P energy: -50.308
tors. eta vs tors. theta energy: -88.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -987.874353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.874353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.874353 (E_RNA)
where:
Base-Base interactions energy: -682.690
where: short stacking energy: -289.397
Base-Backbone interact. energy: -0.351
local terms energy: -304.833192
where:
bonds (distance) C4'-P energy: -53.826
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -60.490
flat angles P-C4'-P energy: -44.361
tors. eta vs tors. theta energy: -90.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -894.855677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.855677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.855677 (E_RNA)
where:
Base-Base interactions energy: -599.696
where: short stacking energy: -256.133
Base-Backbone interact. energy: -2.863
local terms energy: -292.297115
where:
bonds (distance) C4'-P energy: -62.392
bonds (distance) P-C4' energy: -57.333
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -42.566
tors. eta vs tors. theta energy: -67.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -886.412105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.412105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.412105 (E_RNA)
where:
Base-Base interactions energy: -601.845
where: short stacking energy: -259.314
Base-Backbone interact. energy: -1.820
local terms energy: -282.747395
where:
bonds (distance) C4'-P energy: -54.617
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -63.335
flat angles P-C4'-P energy: -43.612
tors. eta vs tors. theta energy: -76.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -758.389440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.389440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.389440 (E_RNA)
where:
Base-Base interactions energy: -504.629
where: short stacking energy: -236.027
Base-Backbone interact. energy: -0.827
local terms energy: -252.933706
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -62.186
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -31.204
tors. eta vs tors. theta energy: -60.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -742.880512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.880512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.880512 (E_RNA)
where:
Base-Base interactions energy: -510.913
where: short stacking energy: -231.896
Base-Backbone interact. energy: -0.407
local terms energy: -231.559860
where:
bonds (distance) C4'-P energy: -34.033
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -59.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -610.041950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.041950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.041950 (E_RNA)
where:
Base-Base interactions energy: -389.090
where: short stacking energy: -168.542
Base-Backbone interact. energy: -0.064
local terms energy: -220.888160
where:
bonds (distance) C4'-P energy: -52.202
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: -30.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -537.846534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.846534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.846534 (E_RNA)
where:
Base-Base interactions energy: -323.807
where: short stacking energy: -165.622
Base-Backbone interact. energy: -1.053
local terms energy: -212.986932
where:
bonds (distance) C4'-P energy: -44.774
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -39.710
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -37.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -449.468277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.468277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.468277 (E_RNA)
where:
Base-Base interactions energy: -252.878
where: short stacking energy: -135.521
Base-Backbone interact. energy: 1.925
local terms energy: -198.514969
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -45.923
flat angles C4'-P-C4' energy: -48.968
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -27.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -336.455702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.455702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.455702 (E_RNA)
where:
Base-Base interactions energy: -164.019
where: short stacking energy: -95.275
Base-Backbone interact. energy: 4.320
local terms energy: -176.756615
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -45.833
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -978.379288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.379288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.379288 (E_RNA)
where:
Base-Base interactions energy: -674.918
where: short stacking energy: -291.451
Base-Backbone interact. energy: -1.591
local terms energy: -301.869950
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -83.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1011.166830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.166830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.166830 (E_RNA)
where:
Base-Base interactions energy: -686.645
where: short stacking energy: -307.741
Base-Backbone interact. energy: -1.315
local terms energy: -323.206763
where:
bonds (distance) C4'-P energy: -59.660
bonds (distance) P-C4' energy: -59.232
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -42.779
tors. eta vs tors. theta energy: -97.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -913.403346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.403346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.403346 (E_RNA)
where:
Base-Base interactions energy: -622.868
where: short stacking energy: -289.592
Base-Backbone interact. energy: -3.144
local terms energy: -287.391366
where:
bonds (distance) C4'-P energy: -54.032
bonds (distance) P-C4' energy: -50.113
flat angles C4'-P-C4' energy: -63.916
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -85.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -882.700544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.700544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.700544 (E_RNA)
where:
Base-Base interactions energy: -622.199
where: short stacking energy: -247.165
Base-Backbone interact. energy: 0.204
local terms energy: -260.706473
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -60.344
flat angles P-C4'-P energy: -40.809
tors. eta vs tors. theta energy: -75.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -786.402986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.402986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.402986 (E_RNA)
where:
Base-Base interactions energy: -533.283
where: short stacking energy: -232.234
Base-Backbone interact. energy: -0.470
local terms energy: -252.649793
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -58.686
flat angles P-C4'-P energy: -36.704
tors. eta vs tors. theta energy: -58.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -722.055167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.055167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.055167 (E_RNA)
where:
Base-Base interactions energy: -497.004
where: short stacking energy: -225.395
Base-Backbone interact. energy: -0.429
local terms energy: -224.621739
where:
bonds (distance) C4'-P energy: -51.172
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -51.483
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -55.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -637.303875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.303875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.303875 (E_RNA)
where:
Base-Base interactions energy: -414.536
where: short stacking energy: -187.274
Base-Backbone interact. energy: -0.906
local terms energy: -221.862128
where:
bonds (distance) C4'-P energy: -52.913
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -34.632
tors. eta vs tors. theta energy: -36.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -507.866286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.866286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.866286 (E_RNA)
where:
Base-Base interactions energy: -310.513
where: short stacking energy: -169.690
Base-Backbone interact. energy: -1.005
local terms energy: -196.348357
where:
bonds (distance) C4'-P energy: -42.820
bonds (distance) P-C4' energy: -58.822
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -33.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -478.006009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.006009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.006009 (E_RNA)
where:
Base-Base interactions energy: -301.316
where: short stacking energy: -147.385
Base-Backbone interact. energy: 0.270
local terms energy: -176.959346
where:
bonds (distance) C4'-P energy: -41.288
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -370.933615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.933615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.933615 (E_RNA)
where:
Base-Base interactions energy: -200.355
where: short stacking energy: -103.115
Base-Backbone interact. energy: -1.370
local terms energy: -169.208804
where:
bonds (distance) C4'-P energy: -46.347
bonds (distance) P-C4' energy: -53.913
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1012.692905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.692905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.692905 (E_RNA)
where:
Base-Base interactions energy: -691.625
where: short stacking energy: -302.691
Base-Backbone interact. energy: -0.790
local terms energy: -320.277775
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -64.895
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: -98.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -986.618197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.618197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.618197 (E_RNA)
where:
Base-Base interactions energy: -686.833
where: short stacking energy: -293.482
Base-Backbone interact. energy: -2.736
local terms energy: -297.049335
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -47.327
tors. eta vs tors. theta energy: -83.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -906.390119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.390119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.390119 (E_RNA)
where:
Base-Base interactions energy: -615.051
where: short stacking energy: -269.347
Base-Backbone interact. energy: -1.220
local terms energy: -290.118905
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -49.008
flat angles C4'-P-C4' energy: -64.866
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -77.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -844.195748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.195748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.195748 (E_RNA)
where:
Base-Base interactions energy: -580.289
where: short stacking energy: -252.214
Base-Backbone interact. energy: -1.759
local terms energy: -262.147532
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -56.547
flat angles C4'-P-C4' energy: -60.570
flat angles P-C4'-P energy: -30.542
tors. eta vs tors. theta energy: -65.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -796.430340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.430340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.430340 (E_RNA)
where:
Base-Base interactions energy: -543.647
where: short stacking energy: -236.206
Base-Backbone interact. energy: -0.655
local terms energy: -252.128825
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -50.481
flat angles P-C4'-P energy: -33.287
tors. eta vs tors. theta energy: -64.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -741.222833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.222833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.222833 (E_RNA)
where:
Base-Base interactions energy: -503.186
where: short stacking energy: -226.832
Base-Backbone interact. energy: -2.896
local terms energy: -235.140740
where:
bonds (distance) C4'-P energy: -44.867
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -50.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -618.793404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.793404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.793404 (E_RNA)
where:
Base-Base interactions energy: -402.711
where: short stacking energy: -171.588
Base-Backbone interact. energy: -1.430
local terms energy: -214.652171
where:
bonds (distance) C4'-P energy: -51.481
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -54.995
flat angles P-C4'-P energy: -25.216
tors. eta vs tors. theta energy: -38.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -490.558231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.558231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.558231 (E_RNA)
where:
Base-Base interactions energy: -309.050
where: short stacking energy: -144.327
Base-Backbone interact. energy: -0.836
local terms energy: -180.672241
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -43.618
flat angles C4'-P-C4' energy: -45.397
flat angles P-C4'-P energy: -25.481
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -472.591247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.591247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.591247 (E_RNA)
where:
Base-Base interactions energy: -296.445
where: short stacking energy: -136.616
Base-Backbone interact. energy: 0.418
local terms energy: -176.564938
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -46.647
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -352.609151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.609151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.609151 (E_RNA)
where:
Base-Base interactions energy: -199.486
where: short stacking energy: -107.488
Base-Backbone interact. energy: 6.131
local terms energy: -159.253549
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -43.796
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1012.692168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.692168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.692168 (E_RNA)
where:
Base-Base interactions energy: -716.985
where: short stacking energy: -316.212
Base-Backbone interact. energy: 0.736
local terms energy: -296.442803
where:
bonds (distance) C4'-P energy: -51.363
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -64.875
flat angles P-C4'-P energy: -39.374
tors. eta vs tors. theta energy: -93.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -994.051936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.051936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.051936 (E_RNA)
where:
Base-Base interactions energy: -691.109
where: short stacking energy: -288.528
Base-Backbone interact. energy: -2.833
local terms energy: -300.109626
where:
bonds (distance) C4'-P energy: -52.007
bonds (distance) P-C4' energy: -59.409
flat angles C4'-P-C4' energy: -57.603
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -84.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -892.790467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.790467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.790467 (E_RNA)
where:
Base-Base interactions energy: -596.446
where: short stacking energy: -266.323
Base-Backbone interact. energy: -2.686
local terms energy: -293.658059
where:
bonds (distance) C4'-P energy: -56.775
bonds (distance) P-C4' energy: -53.300
flat angles C4'-P-C4' energy: -64.642
flat angles P-C4'-P energy: -36.637
tors. eta vs tors. theta energy: -82.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -858.231281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.231281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.231281 (E_RNA)
where:
Base-Base interactions energy: -596.674
where: short stacking energy: -253.080
Base-Backbone interact. energy: -0.816
local terms energy: -260.741276
where:
bonds (distance) C4'-P energy: -57.193
bonds (distance) P-C4' energy: -54.519
flat angles C4'-P-C4' energy: -48.221
flat angles P-C4'-P energy: -32.081
tors. eta vs tors. theta energy: -68.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -843.659114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.659114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.659114 (E_RNA)
where:
Base-Base interactions energy: -585.977
where: short stacking energy: -246.867
Base-Backbone interact. energy: -0.480
local terms energy: -257.202572
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -754.368018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.368018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.368018 (E_RNA)
where:
Base-Base interactions energy: -519.585
where: short stacking energy: -213.263
Base-Backbone interact. energy: -1.504
local terms energy: -233.278799
where:
bonds (distance) C4'-P energy: -51.853
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -55.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -604.735532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.735532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.735532 (E_RNA)
where:
Base-Base interactions energy: -372.476
where: short stacking energy: -179.385
Base-Backbone interact. energy: -1.251
local terms energy: -231.008494
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -57.893
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -35.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -534.545343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.545343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.545343 (E_RNA)
where:
Base-Base interactions energy: -337.990
where: short stacking energy: -170.705
Base-Backbone interact. energy: -0.735
local terms energy: -195.820265
where:
bonds (distance) C4'-P energy: -38.288
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -49.834
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -31.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -482.876008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.876008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.876008 (E_RNA)
where:
Base-Base interactions energy: -286.357
where: short stacking energy: -160.081
Base-Backbone interact. energy: -0.035
local terms energy: -196.484212
where:
bonds (distance) C4'-P energy: -34.628
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -50.410
flat angles P-C4'-P energy: -34.717
tors. eta vs tors. theta energy: -31.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -363.352711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.352711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.352711 (E_RNA)
where:
Base-Base interactions energy: -213.919
where: short stacking energy: -95.067
Base-Backbone interact. energy: -1.344
local terms energy: -148.089919
where:
bonds (distance) C4'-P energy: -34.096
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -38.899
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1001.537012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.537012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.537012 (E_RNA)
where:
Base-Base interactions energy: -679.963
where: short stacking energy: -300.527
Base-Backbone interact. energy: -1.308
local terms energy: -320.266716
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -66.665
flat angles P-C4'-P energy: -49.339
tors. eta vs tors. theta energy: -95.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -980.489775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.489775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.489775 (E_RNA)
where:
Base-Base interactions energy: -674.373
where: short stacking energy: -277.033
Base-Backbone interact. energy: -0.859
local terms energy: -305.258110
where:
bonds (distance) C4'-P energy: -48.903
bonds (distance) P-C4' energy: -60.025
flat angles C4'-P-C4' energy: -66.321
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -81.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -906.119034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.119034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.119034 (E_RNA)
where:
Base-Base interactions energy: -619.124
where: short stacking energy: -290.908
Base-Backbone interact. energy: -0.605
local terms energy: -286.390467
where:
bonds (distance) C4'-P energy: -50.756
bonds (distance) P-C4' energy: -46.618
flat angles C4'-P-C4' energy: -65.555
flat angles P-C4'-P energy: -37.235
tors. eta vs tors. theta energy: -86.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -899.313284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.313284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.313284 (E_RNA)
where:
Base-Base interactions energy: -622.345
where: short stacking energy: -267.720
Base-Backbone interact. energy: -0.919
local terms energy: -276.049339
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -53.538
flat angles C4'-P-C4' energy: -58.654
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: -78.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -767.463455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.463455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.463455 (E_RNA)
where:
Base-Base interactions energy: -525.926
where: short stacking energy: -218.727
Base-Backbone interact. energy: -1.539
local terms energy: -239.998196
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -63.934
flat angles C4'-P-C4' energy: -50.284
flat angles P-C4'-P energy: -23.802
tors. eta vs tors. theta energy: -57.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -789.414152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.414152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.414152 (E_RNA)
where:
Base-Base interactions energy: -538.699
where: short stacking energy: -240.997
Base-Backbone interact. energy: -2.325
local terms energy: -248.390560
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -68.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -660.195769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.195769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.195769 (E_RNA)
where:
Base-Base interactions energy: -428.472
where: short stacking energy: -181.943
Base-Backbone interact. energy: -0.700
local terms energy: -231.023326
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -40.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -513.154616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.154616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.154616 (E_RNA)
where:
Base-Base interactions energy: -296.389
where: short stacking energy: -165.352
Base-Backbone interact. energy: -0.754
local terms energy: -216.011344
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -32.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -406.662648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.662648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.662648 (E_RNA)
where:
Base-Base interactions energy: -221.513
where: short stacking energy: -121.840
Base-Backbone interact. energy: -0.544
local terms energy: -184.605639
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -42.785
flat angles C4'-P-C4' energy: -45.164
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -356.063545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.063545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.063545 (E_RNA)
where:
Base-Base interactions energy: -204.801
where: short stacking energy: -111.132
Base-Backbone interact. energy: 0.511
local terms energy: -151.773441
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -43.760
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1008.376866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.376866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.376866 (E_RNA)
where:
Base-Base interactions energy: -688.089
where: short stacking energy: -302.377
Base-Backbone interact. energy: -0.354
local terms energy: -319.933334
where:
bonds (distance) C4'-P energy: -61.917
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -68.223
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -94.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -979.149979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.149979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.149979 (E_RNA)
where:
Base-Base interactions energy: -683.881
where: short stacking energy: -275.559
Base-Backbone interact. energy: -1.027
local terms energy: -294.242400
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -48.292
flat angles C4'-P-C4' energy: -62.779
flat angles P-C4'-P energy: -36.885
tors. eta vs tors. theta energy: -86.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -907.128176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.128176 (E_RNA)
where:
Base-Base interactions energy: -626.845
where: short stacking energy: -284.643
Base-Backbone interact. energy: -3.822
local terms energy: -276.461378
where:
bonds (distance) C4'-P energy: -49.193
bonds (distance) P-C4' energy: -50.135
flat angles C4'-P-C4' energy: -58.637
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -84.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -877.501345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.501345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.501345 (E_RNA)
where:
Base-Base interactions energy: -599.706
where: short stacking energy: -265.922
Base-Backbone interact. energy: -0.666
local terms energy: -277.129095
where:
bonds (distance) C4'-P energy: -55.285
bonds (distance) P-C4' energy: -43.822
flat angles C4'-P-C4' energy: -56.062
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -77.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -806.540464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.540464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.540464 (E_RNA)
where:
Base-Base interactions energy: -552.196
where: short stacking energy: -242.341
Base-Backbone interact. energy: 2.338
local terms energy: -256.682297
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -51.581
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -65.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -773.313070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.313070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.313070 (E_RNA)
where:
Base-Base interactions energy: -515.575
where: short stacking energy: -241.653
Base-Backbone interact. energy: -1.898
local terms energy: -255.839249
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -57.684
flat angles P-C4'-P energy: -37.660
tors. eta vs tors. theta energy: -66.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -633.150294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.150294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.150294 (E_RNA)
where:
Base-Base interactions energy: -420.737
where: short stacking energy: -206.479
Base-Backbone interact. energy: -1.691
local terms energy: -210.721768
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -46.655
flat angles C4'-P-C4' energy: -56.283
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -47.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -477.354347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.354347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.354347 (E_RNA)
where:
Base-Base interactions energy: -288.015
where: short stacking energy: -149.751
Base-Backbone interact. energy: -0.759
local terms energy: -188.580088
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -52.991
flat angles C4'-P-C4' energy: -37.372
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -483.793691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.793691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.793691 (E_RNA)
where:
Base-Base interactions energy: -303.986
where: short stacking energy: -137.360
Base-Backbone interact. energy: -3.471
local terms energy: -176.336956
where:
bonds (distance) C4'-P energy: -37.357
bonds (distance) P-C4' energy: -36.731
flat angles C4'-P-C4' energy: -48.391
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -410.904540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.904540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.904540 (E_RNA)
where:
Base-Base interactions energy: -222.716
where: short stacking energy: -105.049
Base-Backbone interact. energy: -0.912
local terms energy: -187.275832
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -44.350
flat angles C4'-P-C4' energy: -45.393
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -993.522892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.522892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.522892 (E_RNA)
where:
Base-Base interactions energy: -709.410
where: short stacking energy: -285.457
Base-Backbone interact. energy: -1.169
local terms energy: -282.943164
where:
bonds (distance) C4'-P energy: -55.739
bonds (distance) P-C4' energy: -52.550
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -78.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1002.994174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.994174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.994174 (E_RNA)
where:
Base-Base interactions energy: -688.894
where: short stacking energy: -309.447
Base-Backbone interact. energy: -0.067
local terms energy: -314.033467
where:
bonds (distance) C4'-P energy: -56.292
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -60.595
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -95.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -888.658279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.658279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.658279 (E_RNA)
where:
Base-Base interactions energy: -617.057
where: short stacking energy: -266.922
Base-Backbone interact. energy: -0.520
local terms energy: -271.081694
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -57.500
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -73.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -862.769711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.769711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.769711 (E_RNA)
where:
Base-Base interactions energy: -578.458
where: short stacking energy: -248.426
Base-Backbone interact. energy: 3.638
local terms energy: -287.949847
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -64.315
flat angles P-C4'-P energy: -39.425
tors. eta vs tors. theta energy: -81.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -785.761880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.761880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.761880 (E_RNA)
where:
Base-Base interactions energy: -543.311
where: short stacking energy: -241.863
Base-Backbone interact. energy: -1.337
local terms energy: -241.113583
where:
bonds (distance) C4'-P energy: -44.925
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -69.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -777.908945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.908945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.908945 (E_RNA)
where:
Base-Base interactions energy: -530.257
where: short stacking energy: -236.830
Base-Backbone interact. energy: -0.489
local terms energy: -247.163649
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -56.060
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -61.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -630.424174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.424174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.424174 (E_RNA)
where:
Base-Base interactions energy: -395.124
where: short stacking energy: -193.920
Base-Backbone interact. energy: -1.158
local terms energy: -234.142153
where:
bonds (distance) C4'-P energy: -43.631
bonds (distance) P-C4' energy: -50.998
flat angles C4'-P-C4' energy: -57.784
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -47.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -525.375608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.375608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.375608 (E_RNA)
where:
Base-Base interactions energy: -306.496
where: short stacking energy: -166.989
Base-Backbone interact. energy: 3.587
local terms energy: -222.466171
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -51.269
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -33.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -497.491786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.491786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.491786 (E_RNA)
where:
Base-Base interactions energy: -309.960
where: short stacking energy: -152.113
Base-Backbone interact. energy: -1.599
local terms energy: -185.933150
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -43.374
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -404.066310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.066310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.066310 (E_RNA)
where:
Base-Base interactions energy: -228.471
where: short stacking energy: -111.756
Base-Backbone interact. energy: 0.324
local terms energy: -175.919053
where:
bonds (distance) C4'-P energy: -53.406
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -45.418
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -994.347163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.347163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.347163 (E_RNA)
where:
Base-Base interactions energy: -686.075
where: short stacking energy: -289.261
Base-Backbone interact. energy: -0.879
local terms energy: -307.392415
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -45.831
tors. eta vs tors. theta energy: -76.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -983.597026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.597026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.597026 (E_RNA)
where:
Base-Base interactions energy: -669.452
where: short stacking energy: -305.100
Base-Backbone interact. energy: -1.956
local terms energy: -312.189625
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -58.147
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -98.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -875.132065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.132065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.132065 (E_RNA)
where:
Base-Base interactions energy: -589.569
where: short stacking energy: -270.306
Base-Backbone interact. energy: -0.822
local terms energy: -284.740720
where:
bonds (distance) C4'-P energy: -50.706
bonds (distance) P-C4' energy: -48.060
flat angles C4'-P-C4' energy: -60.534
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: -79.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -854.272161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.272161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.272161 (E_RNA)
where:
Base-Base interactions energy: -596.616
where: short stacking energy: -258.699
Base-Backbone interact. energy: -0.937
local terms energy: -256.719740
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -53.202
flat angles C4'-P-C4' energy: -62.220
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -69.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -803.703247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.703247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.703247 (E_RNA)
where:
Base-Base interactions energy: -538.314
where: short stacking energy: -233.349
Base-Backbone interact. energy: -3.256
local terms energy: -262.132283
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -57.261
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -60.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -806.280259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.280259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.280259 (E_RNA)
where:
Base-Base interactions energy: -544.544
where: short stacking energy: -241.277
Base-Backbone interact. energy: -2.001
local terms energy: -259.734766
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -57.594
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -69.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -643.495123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.495123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.495123 (E_RNA)
where:
Base-Base interactions energy: -422.202
where: short stacking energy: -186.592
Base-Backbone interact. energy: 0.521
local terms energy: -221.814275
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -51.900
flat angles C4'-P-C4' energy: -50.240
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: -47.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -520.363414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.363414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.363414 (E_RNA)
where:
Base-Base interactions energy: -326.585
where: short stacking energy: -154.825
Base-Backbone interact. energy: 0.312
local terms energy: -194.089843
where:
bonds (distance) C4'-P energy: -45.440
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -39.475
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -456.360569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.360569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.360569 (E_RNA)
where:
Base-Base interactions energy: -259.320
where: short stacking energy: -127.299
Base-Backbone interact. energy: -0.796
local terms energy: -196.244713
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -41.170
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -391.084232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.084232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.084232 (E_RNA)
where:
Base-Base interactions energy: -219.470
where: short stacking energy: -115.501
Base-Backbone interact. energy: 0.465
local terms energy: -172.079172
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -33.451
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -34.378
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -992.825208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.825208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.825208 (E_RNA)
where:
Base-Base interactions energy: -675.669
where: short stacking energy: -309.361
Base-Backbone interact. energy: -1.183
local terms energy: -315.973269
where:
bonds (distance) C4'-P energy: -58.878
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -70.740
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -93.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -954.520487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.520487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.520487 (E_RNA)
where:
Base-Base interactions energy: -663.395
where: short stacking energy: -282.855
Base-Backbone interact. energy: -1.085
local terms energy: -290.040119
where:
bonds (distance) C4'-P energy: -50.374
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -62.736
flat angles P-C4'-P energy: -47.099
tors. eta vs tors. theta energy: -78.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -915.943628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.943628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.943628 (E_RNA)
where:
Base-Base interactions energy: -627.451
where: short stacking energy: -288.651
Base-Backbone interact. energy: 1.230
local terms energy: -289.722880
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -65.779
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -80.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -798.149247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.149247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.149247 (E_RNA)
where:
Base-Base interactions energy: -550.739
where: short stacking energy: -256.204
Base-Backbone interact. energy: -1.384
local terms energy: -246.025836
where:
bonds (distance) C4'-P energy: -48.265
bonds (distance) P-C4' energy: -53.997
flat angles C4'-P-C4' energy: -48.826
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -67.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -799.402392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.402392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.402392 (E_RNA)
where:
Base-Base interactions energy: -552.404
where: short stacking energy: -232.027
Base-Backbone interact. energy: -1.218
local terms energy: -245.780353
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -45.751
flat angles C4'-P-C4' energy: -54.433
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: -62.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -803.585542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.585542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.585542 (E_RNA)
where:
Base-Base interactions energy: -548.510
where: short stacking energy: -246.474
Base-Backbone interact. energy: -3.373
local terms energy: -251.702166
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -43.126
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -73.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -660.497872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.497872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.497872 (E_RNA)
where:
Base-Base interactions energy: -444.474
where: short stacking energy: -211.430
Base-Backbone interact. energy: 2.317
local terms energy: -218.340545
where:
bonds (distance) C4'-P energy: -44.713
bonds (distance) P-C4' energy: -54.827
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -48.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -564.563448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.563448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.563448 (E_RNA)
where:
Base-Base interactions energy: -356.711
where: short stacking energy: -174.016
Base-Backbone interact. energy: -1.246
local terms energy: -206.606699
where:
bonds (distance) C4'-P energy: -43.105
bonds (distance) P-C4' energy: -48.179
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -40.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -449.807762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.807762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.807762 (E_RNA)
where:
Base-Base interactions energy: -268.405
where: short stacking energy: -131.839
Base-Backbone interact. energy: -0.495
local terms energy: -180.908371
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -333.681513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.681513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.681513 (E_RNA)
where:
Base-Base interactions energy: -171.019
where: short stacking energy: -99.263
Base-Backbone interact. energy: 0.306
local terms energy: -162.968351
where:
bonds (distance) C4'-P energy: -55.159
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -35.106
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1003.565606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.565606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.565606 (E_RNA)
where:
Base-Base interactions energy: -692.240
where: short stacking energy: -299.779
Base-Backbone interact. energy: -0.861
local terms energy: -310.464244
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -51.010
tors. eta vs tors. theta energy: -93.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -972.880293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.880293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.880293 (E_RNA)
where:
Base-Base interactions energy: -663.419
where: short stacking energy: -267.798
Base-Backbone interact. energy: 0.025
local terms energy: -309.486055
where:
bonds (distance) C4'-P energy: -59.397
bonds (distance) P-C4' energy: -59.187
flat angles C4'-P-C4' energy: -62.313
flat angles P-C4'-P energy: -52.315
tors. eta vs tors. theta energy: -76.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -893.587582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.587582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.587582 (E_RNA)
where:
Base-Base interactions energy: -602.337
where: short stacking energy: -278.129
Base-Backbone interact. energy: -1.898
local terms energy: -289.352839
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -60.827
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -39.135
tors. eta vs tors. theta energy: -78.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -857.115792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.115792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.115792 (E_RNA)
where:
Base-Base interactions energy: -596.872
where: short stacking energy: -246.812
Base-Backbone interact. energy: -2.372
local terms energy: -257.872182
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -53.832
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -70.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -794.141473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.141473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.141473 (E_RNA)
where:
Base-Base interactions energy: -557.864
where: short stacking energy: -249.849
Base-Backbone interact. energy: 0.724
local terms energy: -237.001824
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -54.213
flat angles P-C4'-P energy: -32.757
tors. eta vs tors. theta energy: -65.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -812.009527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.009527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.009527 (E_RNA)
where:
Base-Base interactions energy: -558.995
where: short stacking energy: -238.948
Base-Backbone interact. energy: 0.385
local terms energy: -253.399371
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -47.824
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -68.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -663.795196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.795196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.795196 (E_RNA)
where:
Base-Base interactions energy: -430.401
where: short stacking energy: -189.887
Base-Backbone interact. energy: -2.015
local terms energy: -231.379316
where:
bonds (distance) C4'-P energy: -51.466
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -57.474
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -47.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -498.279749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.279749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.279749 (E_RNA)
where:
Base-Base interactions energy: -289.167
where: short stacking energy: -146.424
Base-Backbone interact. energy: -0.364
local terms energy: -208.748997
where:
bonds (distance) C4'-P energy: -32.621
bonds (distance) P-C4' energy: -57.734
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -28.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -489.732863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.732863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.732863 (E_RNA)
where:
Base-Base interactions energy: -304.645
where: short stacking energy: -134.443
Base-Backbone interact. energy: -0.523
local terms energy: -184.564170
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -42.652
flat angles C4'-P-C4' energy: -47.448
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -26.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -326.803053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.803053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.803053 (E_RNA)
where:
Base-Base interactions energy: -162.648
where: short stacking energy: -99.641
Base-Backbone interact. energy: -0.730
local terms energy: -163.425111
where:
bonds (distance) C4'-P energy: -39.481
bonds (distance) P-C4' energy: -56.610
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1007.158265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.158265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.158265 (E_RNA)
where:
Base-Base interactions energy: -672.212
where: short stacking energy: -306.840
Base-Backbone interact. energy: -0.719
local terms energy: -334.227853
where:
bonds (distance) C4'-P energy: -60.458
bonds (distance) P-C4' energy: -64.370
flat angles C4'-P-C4' energy: -64.184
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -97.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -974.410234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.410234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.410234 (E_RNA)
where:
Base-Base interactions energy: -668.715
where: short stacking energy: -282.587
Base-Backbone interact. energy: -0.420
local terms energy: -305.274696
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -64.740
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -80.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -905.109412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.109412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.109412 (E_RNA)
where:
Base-Base interactions energy: -610.923
where: short stacking energy: -270.857
Base-Backbone interact. energy: -0.210
local terms energy: -293.976559
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -62.466
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -84.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -849.360997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.360997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.360997 (E_RNA)
where:
Base-Base interactions energy: -566.269
where: short stacking energy: -264.144
Base-Backbone interact. energy: 0.110
local terms energy: -283.202062
where:
bonds (distance) C4'-P energy: -48.344
bonds (distance) P-C4' energy: -53.999
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -79.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -822.317330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.317330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.317330 (E_RNA)
where:
Base-Base interactions energy: -544.058
where: short stacking energy: -235.979
Base-Backbone interact. energy: -0.858
local terms energy: -277.401814
where:
bonds (distance) C4'-P energy: -47.418
bonds (distance) P-C4' energy: -52.278
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -44.334
tors. eta vs tors. theta energy: -74.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -754.877745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.877745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.877745 (E_RNA)
where:
Base-Base interactions energy: -526.918
where: short stacking energy: -221.562
Base-Backbone interact. energy: -2.083
local terms energy: -225.876654
where:
bonds (distance) C4'-P energy: -38.303
bonds (distance) P-C4' energy: -54.174
flat angles C4'-P-C4' energy: -51.408
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -53.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -700.083944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.083944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.083944 (E_RNA)
where:
Base-Base interactions energy: -469.763
where: short stacking energy: -227.063
Base-Backbone interact. energy: -0.461
local terms energy: -229.860349
where:
bonds (distance) C4'-P energy: -32.628
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -54.089
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -56.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -500.473473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.473473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.473473 (E_RNA)
where:
Base-Base interactions energy: -320.750
where: short stacking energy: -151.098
Base-Backbone interact. energy: 0.643
local terms energy: -180.365622
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -41.112
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -443.150125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.150125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.150125 (E_RNA)
where:
Base-Base interactions energy: -263.352
where: short stacking energy: -111.549
Base-Backbone interact. energy: -1.740
local terms energy: -178.057877
where:
bonds (distance) C4'-P energy: -50.755
bonds (distance) P-C4' energy: -50.556
flat angles C4'-P-C4' energy: -39.739
flat angles P-C4'-P energy: -24.761
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -320.442883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.442883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.442883 (E_RNA)
where:
Base-Base interactions energy: -175.611
where: short stacking energy: -92.249
Base-Backbone interact. energy: 1.648
local terms energy: -146.480210
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -42.950
flat angles C4'-P-C4' energy: -47.296
flat angles P-C4'-P energy: -20.144
tors. eta vs tors. theta energy: 4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1000.535125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.535125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.535125 (E_RNA)
where:
Base-Base interactions energy: -687.593
where: short stacking energy: -316.908
Base-Backbone interact. energy: -0.372
local terms energy: -312.570404
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -96.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -966.021460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.021460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.021460 (E_RNA)
where:
Base-Base interactions energy: -681.178
where: short stacking energy: -279.405
Base-Backbone interact. energy: 0.033
local terms energy: -284.876059
where:
bonds (distance) C4'-P energy: -53.333
bonds (distance) P-C4' energy: -52.030
flat angles C4'-P-C4' energy: -58.861
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -71.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -897.081482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.081482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.081482 (E_RNA)
where:
Base-Base interactions energy: -603.858
where: short stacking energy: -274.271
Base-Backbone interact. energy: -2.677
local terms energy: -290.546614
where:
bonds (distance) C4'-P energy: -49.038
bonds (distance) P-C4' energy: -61.042
flat angles C4'-P-C4' energy: -55.359
flat angles P-C4'-P energy: -41.976
tors. eta vs tors. theta energy: -83.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -851.867082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.867082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.867082 (E_RNA)
where:
Base-Base interactions energy: -582.052
where: short stacking energy: -238.661
Base-Backbone interact. energy: -0.549
local terms energy: -269.266716
where:
bonds (distance) C4'-P energy: -54.525
bonds (distance) P-C4' energy: -50.829
flat angles C4'-P-C4' energy: -57.542
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -67.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -797.550369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.550369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.550369 (E_RNA)
where:
Base-Base interactions energy: -520.259
where: short stacking energy: -227.851
Base-Backbone interact. energy: -2.796
local terms energy: -274.495098
where:
bonds (distance) C4'-P energy: -59.494
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -57.806
flat angles P-C4'-P energy: -36.397
tors. eta vs tors. theta energy: -70.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -742.888324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.888324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.888324 (E_RNA)
where:
Base-Base interactions energy: -497.550
where: short stacking energy: -227.363
Base-Backbone interact. energy: 0.636
local terms energy: -245.974499
where:
bonds (distance) C4'-P energy: -52.920
bonds (distance) P-C4' energy: -55.949
flat angles C4'-P-C4' energy: -45.383
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -56.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -682.177343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.177343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.177343 (E_RNA)
where:
Base-Base interactions energy: -466.285
where: short stacking energy: -204.566
Base-Backbone interact. energy: -0.833
local terms energy: -215.059282
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -45.341
flat angles C4'-P-C4' energy: -48.847
flat angles P-C4'-P energy: -27.300
tors. eta vs tors. theta energy: -57.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -522.153406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.153406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.153406 (E_RNA)
where:
Base-Base interactions energy: -315.856
where: short stacking energy: -165.058
Base-Backbone interact. energy: 1.592
local terms energy: -207.888533
where:
bonds (distance) C4'-P energy: -45.423
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -32.551
flat angles P-C4'-P energy: -34.324
tors. eta vs tors. theta energy: -36.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -431.725738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.725738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.725738 (E_RNA)
where:
Base-Base interactions energy: -242.502
where: short stacking energy: -117.963
Base-Backbone interact. energy: 0.168
local terms energy: -189.391599
where:
bonds (distance) C4'-P energy: -53.007
bonds (distance) P-C4' energy: -47.757
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -34.677
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -347.679126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.679126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.679126 (E_RNA)
where:
Base-Base interactions energy: -169.864
where: short stacking energy: -98.783
Base-Backbone interact. energy: 1.970
local terms energy: -179.784952
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -47.983
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1016.329610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.329610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.329610 (E_RNA)
where:
Base-Base interactions energy: -693.332
where: short stacking energy: -307.463
Base-Backbone interact. energy: -0.673
local terms energy: -322.324513
where:
bonds (distance) C4'-P energy: -57.290
bonds (distance) P-C4' energy: -62.361
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -45.914
tors. eta vs tors. theta energy: -95.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -987.553869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.553869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.553869 (E_RNA)
where:
Base-Base interactions energy: -687.493
where: short stacking energy: -273.014
Base-Backbone interact. energy: 3.055
local terms energy: -303.116362
where:
bonds (distance) C4'-P energy: -50.452
bonds (distance) P-C4' energy: -58.631
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -80.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -911.023974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.023974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.023974 (E_RNA)
where:
Base-Base interactions energy: -624.971
where: short stacking energy: -271.900
Base-Backbone interact. energy: -0.244
local terms energy: -285.809115
where:
bonds (distance) C4'-P energy: -46.003
bonds (distance) P-C4' energy: -52.614
flat angles C4'-P-C4' energy: -59.886
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -83.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -867.289259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.289259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.289259 (E_RNA)
where:
Base-Base interactions energy: -588.785
where: short stacking energy: -240.662
Base-Backbone interact. energy: -1.661
local terms energy: -276.842735
where:
bonds (distance) C4'-P energy: -56.934
bonds (distance) P-C4' energy: -52.221
flat angles C4'-P-C4' energy: -60.871
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -73.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -824.017401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.017401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.017401 (E_RNA)
where:
Base-Base interactions energy: -573.699
where: short stacking energy: -235.152
Base-Backbone interact. energy: -0.659
local terms energy: -249.659749
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -51.215
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -70.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -754.957606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.957606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.957606 (E_RNA)
where:
Base-Base interactions energy: -506.114
where: short stacking energy: -224.722
Base-Backbone interact. energy: -1.278
local terms energy: -247.565721
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -51.581
flat angles C4'-P-C4' energy: -59.678
flat angles P-C4'-P energy: -28.832
tors. eta vs tors. theta energy: -65.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -619.269175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.269175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.269175 (E_RNA)
where:
Base-Base interactions energy: -407.565
where: short stacking energy: -199.229
Base-Backbone interact. energy: 0.364
local terms energy: -212.068126
where:
bonds (distance) C4'-P energy: -49.544
bonds (distance) P-C4' energy: -43.105
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -31.533
tors. eta vs tors. theta energy: -39.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -522.587550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.587550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.587550 (E_RNA)
where:
Base-Base interactions energy: -299.454
where: short stacking energy: -142.578
Base-Backbone interact. energy: -0.521
local terms energy: -222.612670
where:
bonds (distance) C4'-P energy: -60.105
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -32.395
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -355.356054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.356054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.356054 (E_RNA)
where:
Base-Base interactions energy: -202.696
where: short stacking energy: -117.961
Base-Backbone interact. energy: -1.279
local terms energy: -151.380243
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -407.194303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.194303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.194303 (E_RNA)
where:
Base-Base interactions energy: -231.727
where: short stacking energy: -101.362
Base-Backbone interact. energy: -1.492
local terms energy: -173.975156
where:
bonds (distance) C4'-P energy: -55.075
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -999.116077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.116077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.116077 (E_RNA)
where:
Base-Base interactions energy: -678.128
where: short stacking energy: -311.741
Base-Backbone interact. energy: -0.173
local terms energy: -320.814879
where:
bonds (distance) C4'-P energy: -54.129
bonds (distance) P-C4' energy: -59.057
flat angles C4'-P-C4' energy: -66.778
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -96.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -970.829892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.829892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.829892 (E_RNA)
where:
Base-Base interactions energy: -684.717
where: short stacking energy: -296.658
Base-Backbone interact. energy: 2.185
local terms energy: -288.297286
where:
bonds (distance) C4'-P energy: -52.245
bonds (distance) P-C4' energy: -49.550
flat angles C4'-P-C4' energy: -65.519
flat angles P-C4'-P energy: -36.291
tors. eta vs tors. theta energy: -84.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -910.675592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.675592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.675592 (E_RNA)
where:
Base-Base interactions energy: -622.996
where: short stacking energy: -276.529
Base-Backbone interact. energy: -0.842
local terms energy: -286.837715
where:
bonds (distance) C4'-P energy: -41.324
bonds (distance) P-C4' energy: -57.246
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: -83.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -857.595480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.595480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.595480 (E_RNA)
where:
Base-Base interactions energy: -592.678
where: short stacking energy: -259.943
Base-Backbone interact. energy: -1.862
local terms energy: -263.055487
where:
bonds (distance) C4'-P energy: -45.046
bonds (distance) P-C4' energy: -57.724
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -72.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -810.432927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.432927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.432927 (E_RNA)
where:
Base-Base interactions energy: -547.746
where: short stacking energy: -236.493
Base-Backbone interact. energy: -2.835
local terms energy: -259.852403
where:
bonds (distance) C4'-P energy: -40.611
bonds (distance) P-C4' energy: -54.307
flat angles C4'-P-C4' energy: -53.960
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -75.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -779.848868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.848868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.848868 (E_RNA)
where:
Base-Base interactions energy: -509.394
where: short stacking energy: -248.469
Base-Backbone interact. energy: -1.299
local terms energy: -269.156799
where:
bonds (distance) C4'-P energy: -51.191
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -36.999
tors. eta vs tors. theta energy: -68.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -592.962611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.962611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.962611 (E_RNA)
where:
Base-Base interactions energy: -371.174
where: short stacking energy: -175.368
Base-Backbone interact. energy: -1.325
local terms energy: -220.464418
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -49.274
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -529.666511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.666511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.666511 (E_RNA)
where:
Base-Base interactions energy: -313.882
where: short stacking energy: -151.599
Base-Backbone interact. energy: -0.770
local terms energy: -215.013871
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -51.680
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: -34.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -365.541132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.541132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.541132 (E_RNA)
where:
Base-Base interactions energy: -204.016
where: short stacking energy: -109.947
Base-Backbone interact. energy: -0.620
local terms energy: -160.905415
where:
bonds (distance) C4'-P energy: -43.501
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -25.925
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -347.753443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.753443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.753443 (E_RNA)
where:
Base-Base interactions energy: -194.338
where: short stacking energy: -101.033
Base-Backbone interact. energy: -0.776
local terms energy: -152.638996
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -30.252
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: 2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1002.993235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.993235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.993235 (E_RNA)
where:
Base-Base interactions energy: -697.764
where: short stacking energy: -307.052
Base-Backbone interact. energy: -0.438
local terms energy: -304.791092
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -60.620
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -97.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -954.309278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.309278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.309278 (E_RNA)
where:
Base-Base interactions energy: -661.394
where: short stacking energy: -277.000
Base-Backbone interact. energy: 0.706
local terms energy: -293.620340
where:
bonds (distance) C4'-P energy: -55.944
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -76.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -911.861942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.861942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.861942 (E_RNA)
where:
Base-Base interactions energy: -614.481
where: short stacking energy: -280.456
Base-Backbone interact. energy: -0.426
local terms energy: -296.954747
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -49.737
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -46.014
tors. eta vs tors. theta energy: -84.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -852.199758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.199758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.199758 (E_RNA)
where:
Base-Base interactions energy: -570.287
where: short stacking energy: -246.960
Base-Backbone interact. energy: -1.181
local terms energy: -280.731672
where:
bonds (distance) C4'-P energy: -47.994
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -74.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -788.304681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.304681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.304681 (E_RNA)
where:
Base-Base interactions energy: -555.509
where: short stacking energy: -237.532
Base-Backbone interact. energy: 1.082
local terms energy: -233.877187
where:
bonds (distance) C4'-P energy: -43.760
bonds (distance) P-C4' energy: -52.145
flat angles C4'-P-C4' energy: -53.314
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -53.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -809.903764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.903764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.903764 (E_RNA)
where:
Base-Base interactions energy: -558.882
where: short stacking energy: -235.846
Base-Backbone interact. energy: -0.414
local terms energy: -250.608258
where:
bonds (distance) C4'-P energy: -45.260
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -51.917
flat angles P-C4'-P energy: -36.112
tors. eta vs tors. theta energy: -65.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -634.338115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.338115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.338115 (E_RNA)
where:
Base-Base interactions energy: -415.714
where: short stacking energy: -171.989
Base-Backbone interact. energy: -0.625
local terms energy: -217.998273
where:
bonds (distance) C4'-P energy: -50.151
bonds (distance) P-C4' energy: -52.540
flat angles C4'-P-C4' energy: -42.534
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -40.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -533.831976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.831976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.831976 (E_RNA)
where:
Base-Base interactions energy: -332.020
where: short stacking energy: -163.812
Base-Backbone interact. energy: 0.842
local terms energy: -202.654192
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -37.426
flat angles P-C4'-P energy: -31.048
tors. eta vs tors. theta energy: -31.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -365.061377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.061377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.061377 (E_RNA)
where:
Base-Base interactions energy: -194.980
where: short stacking energy: -118.759
Base-Backbone interact. energy: 0.262
local terms energy: -170.342590
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -40.000
flat angles C4'-P-C4' energy: -49.259
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -340.920749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.920749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.920749 (E_RNA)
where:
Base-Base interactions energy: -174.597
where: short stacking energy: -77.355
Base-Backbone interact. energy: -0.439
local terms energy: -165.884917
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -55.042
flat angles C4'-P-C4' energy: -33.918
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -996.511555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.511555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.511555 (E_RNA)
where:
Base-Base interactions energy: -683.679
where: short stacking energy: -306.538
Base-Backbone interact. energy: -0.505
local terms energy: -312.327348
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -54.824
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -44.986
tors. eta vs tors. theta energy: -89.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -959.832563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.832563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.832563 (E_RNA)
where:
Base-Base interactions energy: -664.531
where: short stacking energy: -270.892
Base-Backbone interact. energy: -0.821
local terms energy: -294.480901
where:
bonds (distance) C4'-P energy: -64.155
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -66.349
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -74.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -906.868608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.868608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.868608 (E_RNA)
where:
Base-Base interactions energy: -626.155
where: short stacking energy: -268.441
Base-Backbone interact. energy: -0.903
local terms energy: -279.810660
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -48.798
flat angles C4'-P-C4' energy: -62.792
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: -82.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -818.879490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.879490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.879490 (E_RNA)
where:
Base-Base interactions energy: -546.995
where: short stacking energy: -234.944
Base-Backbone interact. energy: -1.463
local terms energy: -270.421620
where:
bonds (distance) C4'-P energy: -54.098
bonds (distance) P-C4' energy: -49.600
flat angles C4'-P-C4' energy: -62.353
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -775.554290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.554290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.554290 (E_RNA)
where:
Base-Base interactions energy: -527.032
where: short stacking energy: -213.422
Base-Backbone interact. energy: -2.032
local terms energy: -246.490356
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -54.331
flat angles P-C4'-P energy: -26.888
tors. eta vs tors. theta energy: -60.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -770.872926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.872926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.872926 (E_RNA)
where:
Base-Base interactions energy: -506.757
where: short stacking energy: -216.548
Base-Backbone interact. energy: 0.020
local terms energy: -264.135987
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -55.263
flat angles C4'-P-C4' energy: -65.109
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -64.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -649.890743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.890743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.890743 (E_RNA)
where:
Base-Base interactions energy: -423.912
where: short stacking energy: -198.108
Base-Backbone interact. energy: -1.982
local terms energy: -223.997103
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -48.373
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: -42.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -543.508378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.508378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.508378 (E_RNA)
where:
Base-Base interactions energy: -328.223
where: short stacking energy: -164.322
Base-Backbone interact. energy: -1.324
local terms energy: -213.960782
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -57.178
flat angles C4'-P-C4' energy: -55.780
flat angles P-C4'-P energy: -26.128
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -327.416701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.416701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.416701 (E_RNA)
where:
Base-Base interactions energy: -172.179
where: short stacking energy: -105.971
Base-Backbone interact. energy: 5.484
local terms energy: -160.721574
where:
bonds (distance) C4'-P energy: -40.364
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -300.862759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.862759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.862759 (E_RNA)
where:
Base-Base interactions energy: -149.673
where: short stacking energy: -88.313
Base-Backbone interact. energy: -0.860
local terms energy: -150.329877
where:
bonds (distance) C4'-P energy: -48.176
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1002.185651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.185651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.185651 (E_RNA)
where:
Base-Base interactions energy: -687.183
where: short stacking energy: -307.573
Base-Backbone interact. energy: -0.119
local terms energy: -314.884014
where:
bonds (distance) C4'-P energy: -60.135
bonds (distance) P-C4' energy: -57.037
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -92.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -971.841256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.841256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.841256 (E_RNA)
where:
Base-Base interactions energy: -669.550
where: short stacking energy: -281.122
Base-Backbone interact. energy: 0.623
local terms energy: -302.913709
where:
bonds (distance) C4'-P energy: -58.236
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -57.765
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -80.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -935.498465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.498465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.498465 (E_RNA)
where:
Base-Base interactions energy: -615.851
where: short stacking energy: -273.629
Base-Backbone interact. energy: -1.415
local terms energy: -318.231967
where:
bonds (distance) C4'-P energy: -59.858
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -47.346
tors. eta vs tors. theta energy: -85.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -839.987476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.987476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.987476 (E_RNA)
where:
Base-Base interactions energy: -569.716
where: short stacking energy: -243.172
Base-Backbone interact. energy: -0.935
local terms energy: -269.336418
where:
bonds (distance) C4'-P energy: -47.614
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -66.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -816.002228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.002228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.002228 (E_RNA)
where:
Base-Base interactions energy: -528.832
where: short stacking energy: -237.673
Base-Backbone interact. energy: -0.452
local terms energy: -286.718615
where:
bonds (distance) C4'-P energy: -50.979
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -47.455
tors. eta vs tors. theta energy: -71.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -737.337807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.337807 (E_RNA)
where:
Base-Base interactions energy: -505.981
where: short stacking energy: -225.320
Base-Backbone interact. energy: -1.524
local terms energy: -229.832562
where:
bonds (distance) C4'-P energy: -42.852
bonds (distance) P-C4' energy: -44.197
flat angles C4'-P-C4' energy: -46.068
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -54.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -620.681474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.681474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.681474 (E_RNA)
where:
Base-Base interactions energy: -397.293
where: short stacking energy: -197.520
Base-Backbone interact. energy: -0.906
local terms energy: -222.482892
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -525.009779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.009779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.009779 (E_RNA)
where:
Base-Base interactions energy: -318.461
where: short stacking energy: -145.118
Base-Backbone interact. energy: -0.138
local terms energy: -206.411074
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -54.603
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -370.445925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.445925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.445925 (E_RNA)
where:
Base-Base interactions energy: -203.740
where: short stacking energy: -95.343
Base-Backbone interact. energy: -0.703
local terms energy: -166.002036
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -61.996
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -312.092455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.092455 (E_RNA)
where:
Base-Base interactions energy: -156.960
where: short stacking energy: -86.184
Base-Backbone interact. energy: -0.206
local terms energy: -154.926530
where:
bonds (distance) C4'-P energy: -53.974
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -43.967
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: 9.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -998.937349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.937349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.937349 (E_RNA)
where:
Base-Base interactions energy: -682.509
where: short stacking energy: -296.113
Base-Backbone interact. energy: -1.024
local terms energy: -315.404724
where:
bonds (distance) C4'-P energy: -60.701
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -63.282
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -93.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -984.229079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.229079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.229079 (E_RNA)
where:
Base-Base interactions energy: -676.896
where: short stacking energy: -275.522
Base-Backbone interact. energy: -0.501
local terms energy: -306.832250
where:
bonds (distance) C4'-P energy: -54.049
bonds (distance) P-C4' energy: -60.438
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -82.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -904.070469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.070469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.070469 (E_RNA)
where:
Base-Base interactions energy: -597.280
where: short stacking energy: -271.066
Base-Backbone interact. energy: -1.647
local terms energy: -305.143791
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -60.129
flat angles C4'-P-C4' energy: -69.332
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -86.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -857.598206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.598206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.598206 (E_RNA)
where:
Base-Base interactions energy: -582.733
where: short stacking energy: -254.889
Base-Backbone interact. energy: -0.741
local terms energy: -274.123921
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -46.363
flat angles C4'-P-C4' energy: -58.799
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -77.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -811.516578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.516578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.516578 (E_RNA)
where:
Base-Base interactions energy: -562.036
where: short stacking energy: -240.888
Base-Backbone interact. energy: -1.849
local terms energy: -247.632366
where:
bonds (distance) C4'-P energy: -45.204
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -63.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -685.904567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.904567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.904567 (E_RNA)
where:
Base-Base interactions energy: -460.166
where: short stacking energy: -206.766
Base-Backbone interact. energy: -0.608
local terms energy: -225.130793
where:
bonds (distance) C4'-P energy: -52.132
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -53.676
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -43.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -625.447749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.447749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.447749 (E_RNA)
where:
Base-Base interactions energy: -416.363
where: short stacking energy: -187.523
Base-Backbone interact. energy: 0.130
local terms energy: -209.214716
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -55.571
flat angles P-C4'-P energy: -25.706
tors. eta vs tors. theta energy: -35.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -527.364371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.364371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.364371 (E_RNA)
where:
Base-Base interactions energy: -319.448
where: short stacking energy: -156.154
Base-Backbone interact. energy: -0.356
local terms energy: -207.560480
where:
bonds (distance) C4'-P energy: -49.099
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -32.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -407.205669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.205669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.205669 (E_RNA)
where:
Base-Base interactions energy: -218.853
where: short stacking energy: -107.482
Base-Backbone interact. energy: -1.596
local terms energy: -186.756576
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -44.063
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -293.436020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.436020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.436020 (E_RNA)
where:
Base-Base interactions energy: -128.665
where: short stacking energy: -85.066
Base-Backbone interact. energy: 2.894
local terms energy: -167.665009
where:
bonds (distance) C4'-P energy: -51.977
bonds (distance) P-C4' energy: -47.618
flat angles C4'-P-C4' energy: -43.845
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: 4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1007.618439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.618439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.618439 (E_RNA)
where:
Base-Base interactions energy: -688.979
where: short stacking energy: -303.974
Base-Backbone interact. energy: -0.227
local terms energy: -318.412921
where:
bonds (distance) C4'-P energy: -59.610
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -90.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -977.743284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.743284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.743284 (E_RNA)
where:
Base-Base interactions energy: -670.646
where: short stacking energy: -275.898
Base-Backbone interact. energy: 1.631
local terms energy: -308.728299
where:
bonds (distance) C4'-P energy: -60.418
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -82.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -899.981252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.981252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.981252 (E_RNA)
where:
Base-Base interactions energy: -601.617
where: short stacking energy: -276.136
Base-Backbone interact. energy: 0.843
local terms energy: -299.207412
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -56.802
flat angles C4'-P-C4' energy: -67.602
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -75.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -867.336334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.336334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.336334 (E_RNA)
where:
Base-Base interactions energy: -591.336
where: short stacking energy: -259.734
Base-Backbone interact. energy: -0.484
local terms energy: -275.516258
where:
bonds (distance) C4'-P energy: -47.576
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -69.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -817.588305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.588305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.588305 (E_RNA)
where:
Base-Base interactions energy: -552.384
where: short stacking energy: -252.786
Base-Backbone interact. energy: -2.738
local terms energy: -262.466794
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -53.090
flat angles C4'-P-C4' energy: -56.567
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -72.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -733.514131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.514131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.514131 (E_RNA)
where:
Base-Base interactions energy: -478.105
where: short stacking energy: -206.461
Base-Backbone interact. energy: -0.362
local terms energy: -255.047383
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -55.921
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: -55.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -663.424768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.424768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.424768 (E_RNA)
where:
Base-Base interactions energy: -418.377
where: short stacking energy: -187.793
Base-Backbone interact. energy: -0.678
local terms energy: -244.369299
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -47.972
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -53.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -547.821873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.821873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.821873 (E_RNA)
where:
Base-Base interactions energy: -344.778
where: short stacking energy: -167.470
Base-Backbone interact. energy: 0.236
local terms energy: -203.279056
where:
bonds (distance) C4'-P energy: -48.735
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -23.852
tors. eta vs tors. theta energy: -34.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -431.716572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.716572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.716572 (E_RNA)
where:
Base-Base interactions energy: -245.762
where: short stacking energy: -133.527
Base-Backbone interact. energy: 0.033
local terms energy: -185.987564
where:
bonds (distance) C4'-P energy: -53.887
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -32.156
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -309.877021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.877021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.877021 (E_RNA)
where:
Base-Base interactions energy: -154.598
where: short stacking energy: -90.759
Base-Backbone interact. energy: -0.995
local terms energy: -154.284408
where:
bonds (distance) C4'-P energy: -47.292
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -36.166
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: 5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1004.912109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.912109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.912109 (E_RNA)
where:
Base-Base interactions energy: -679.434
where: short stacking energy: -296.625
Base-Backbone interact. energy: 0.217
local terms energy: -325.695301
where:
bonds (distance) C4'-P energy: -58.612
bonds (distance) P-C4' energy: -62.693
flat angles C4'-P-C4' energy: -65.468
flat angles P-C4'-P energy: -47.612
tors. eta vs tors. theta energy: -91.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -972.544647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.544647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.544647 (E_RNA)
where:
Base-Base interactions energy: -669.299
where: short stacking energy: -286.652
Base-Backbone interact. energy: -0.508
local terms energy: -302.737986
where:
bonds (distance) C4'-P energy: -50.776
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -47.869
tors. eta vs tors. theta energy: -83.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -916.175210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.175210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.175210 (E_RNA)
where:
Base-Base interactions energy: -612.857
where: short stacking energy: -270.618
Base-Backbone interact. energy: -1.645
local terms energy: -301.672560
where:
bonds (distance) C4'-P energy: -61.435
bonds (distance) P-C4' energy: -61.020
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -80.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -861.048807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.048807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.048807 (E_RNA)
where:
Base-Base interactions energy: -583.304
where: short stacking energy: -271.512
Base-Backbone interact. energy: -0.046
local terms energy: -277.698797
where:
bonds (distance) C4'-P energy: -52.855
bonds (distance) P-C4' energy: -54.431
flat angles C4'-P-C4' energy: -61.931
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -75.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -800.607672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.607672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.607672 (E_RNA)
where:
Base-Base interactions energy: -554.575
where: short stacking energy: -241.390
Base-Backbone interact. energy: -0.349
local terms energy: -245.684062
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -57.303
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -64.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -732.323225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.323225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.323225 (E_RNA)
where:
Base-Base interactions energy: -494.274
where: short stacking energy: -213.724
Base-Backbone interact. energy: -0.569
local terms energy: -237.479903
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -51.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -685.305479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.305479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.305479 (E_RNA)
where:
Base-Base interactions energy: -450.389
where: short stacking energy: -206.391
Base-Backbone interact. energy: -1.380
local terms energy: -233.536588
where:
bonds (distance) C4'-P energy: -54.780
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -44.945
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -51.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -522.781915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.781915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.781915 (E_RNA)
where:
Base-Base interactions energy: -329.994
where: short stacking energy: -148.649
Base-Backbone interact. energy: -1.417
local terms energy: -191.370641
where:
bonds (distance) C4'-P energy: -55.382
bonds (distance) P-C4' energy: -44.620
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -422.044353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.044353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.044353 (E_RNA)
where:
Base-Base interactions energy: -250.044
where: short stacking energy: -134.238
Base-Backbone interact. energy: -0.567
local terms energy: -171.433517
where:
bonds (distance) C4'-P energy: -44.473
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -41.042
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -297.797582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.797582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.797582 (E_RNA)
where:
Base-Base interactions energy: -154.650
where: short stacking energy: -95.703
Base-Backbone interact. energy: -0.953
local terms energy: -142.194184
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -989.037903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.037903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.037903 (E_RNA)
where:
Base-Base interactions energy: -697.956
where: short stacking energy: -284.504
Base-Backbone interact. energy: -1.213
local terms energy: -289.868996
where:
bonds (distance) C4'-P energy: -57.197
bonds (distance) P-C4' energy: -51.751
flat angles C4'-P-C4' energy: -61.537
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -79.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -966.338862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.338862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.338862 (E_RNA)
where:
Base-Base interactions energy: -657.100
where: short stacking energy: -286.459
Base-Backbone interact. energy: -0.888
local terms energy: -308.351235
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -60.992
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -90.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -895.472806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.472806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.472806 (E_RNA)
where:
Base-Base interactions energy: -606.569
where: short stacking energy: -260.561
Base-Backbone interact. energy: -0.858
local terms energy: -288.044919
where:
bonds (distance) C4'-P energy: -50.613
bonds (distance) P-C4' energy: -48.205
flat angles C4'-P-C4' energy: -66.284
flat angles P-C4'-P energy: -39.630
tors. eta vs tors. theta energy: -83.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -880.898816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.898816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.898816 (E_RNA)
where:
Base-Base interactions energy: -590.474
where: short stacking energy: -252.560
Base-Backbone interact. energy: -0.709
local terms energy: -289.716368
where:
bonds (distance) C4'-P energy: -44.660
bonds (distance) P-C4' energy: -59.242
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -78.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -880.407218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.407218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.407218 (E_RNA)
where:
Base-Base interactions energy: -610.881
where: short stacking energy: -260.960
Base-Backbone interact. energy: -0.519
local terms energy: -269.007488
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -62.032
flat angles P-C4'-P energy: -37.190
tors. eta vs tors. theta energy: -77.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -697.624897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.624897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.624897 (E_RNA)
where:
Base-Base interactions energy: -458.921
where: short stacking energy: -200.822
Base-Backbone interact. energy: -1.915
local terms energy: -236.789122
where:
bonds (distance) C4'-P energy: -47.428
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -32.181
tors. eta vs tors. theta energy: -48.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -659.054663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.054663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.054663 (E_RNA)
where:
Base-Base interactions energy: -454.455
where: short stacking energy: -195.383
Base-Backbone interact. energy: 0.253
local terms energy: -204.852234
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -48.740
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -556.778577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.778577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.778577 (E_RNA)
where:
Base-Base interactions energy: -339.572
where: short stacking energy: -157.645
Base-Backbone interact. energy: -0.597
local terms energy: -216.609712
where:
bonds (distance) C4'-P energy: -59.991
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -47.160
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -27.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -420.356952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.356952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.356952 (E_RNA)
where:
Base-Base interactions energy: -242.611
where: short stacking energy: -122.920
Base-Backbone interact. energy: -2.450
local terms energy: -175.296035
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -52.326
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -293.425990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.425990 (E_RNA)
where:
Base-Base interactions energy: -130.156
where: short stacking energy: -62.012
Base-Backbone interact. energy: 0.878
local terms energy: -164.148380
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -56.775
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: 9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -977.920031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.920031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.920031 (E_RNA)
where:
Base-Base interactions energy: -685.103
where: short stacking energy: -285.991
Base-Backbone interact. energy: -1.907
local terms energy: -290.910124
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -52.459
flat angles C4'-P-C4' energy: -62.925
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -80.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -964.268516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.268516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.268516 (E_RNA)
where:
Base-Base interactions energy: -655.918
where: short stacking energy: -288.483
Base-Backbone interact. energy: -1.077
local terms energy: -307.273659
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -64.445
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -93.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -876.518695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.518695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.518695 (E_RNA)
where:
Base-Base interactions energy: -613.452
where: short stacking energy: -262.026
Base-Backbone interact. energy: 2.102
local terms energy: -265.168801
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -73.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -909.245398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.245398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.245398 (E_RNA)
where:
Base-Base interactions energy: -616.825
where: short stacking energy: -267.421
Base-Backbone interact. energy: -0.350
local terms energy: -292.070620
where:
bonds (distance) C4'-P energy: -52.933
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -60.301
flat angles P-C4'-P energy: -49.810
tors. eta vs tors. theta energy: -82.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -840.945228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.945228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.945228 (E_RNA)
where:
Base-Base interactions energy: -579.151
where: short stacking energy: -252.614
Base-Backbone interact. energy: -0.718
local terms energy: -261.075781
where:
bonds (distance) C4'-P energy: -48.201
bonds (distance) P-C4' energy: -47.377
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -72.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -676.262643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.262643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.262643 (E_RNA)
where:
Base-Base interactions energy: -424.943
where: short stacking energy: -173.565
Base-Backbone interact. energy: -3.583
local terms energy: -247.736473
where:
bonds (distance) C4'-P energy: -49.130
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -51.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -652.428462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.428462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.428462 (E_RNA)
where:
Base-Base interactions energy: -443.264
where: short stacking energy: -216.351
Base-Backbone interact. energy: -0.033
local terms energy: -209.131477
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -46.456
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -49.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -554.443323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.443323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.443323 (E_RNA)
where:
Base-Base interactions energy: -340.993
where: short stacking energy: -155.659
Base-Backbone interact. energy: -0.098
local terms energy: -213.351882
where:
bonds (distance) C4'-P energy: -51.727
bonds (distance) P-C4' energy: -52.683
flat angles C4'-P-C4' energy: -50.073
flat angles P-C4'-P energy: -28.856
tors. eta vs tors. theta energy: -30.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -422.044659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.044659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.044659 (E_RNA)
where:
Base-Base interactions energy: -250.124
where: short stacking energy: -123.799
Base-Backbone interact. energy: -0.041
local terms energy: -171.879019
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -47.364
flat angles P-C4'-P energy: -16.195
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -317.430356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.430356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.430356 (E_RNA)
where:
Base-Base interactions energy: -174.950
where: short stacking energy: -80.726
Base-Backbone interact. energy: 2.810
local terms energy: -145.290758
where:
bonds (distance) C4'-P energy: -46.436
bonds (distance) P-C4' energy: -53.690
flat angles C4'-P-C4' energy: -45.061
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: 12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1012.003521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.003521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.003521 (E_RNA)
where:
Base-Base interactions energy: -698.629
where: short stacking energy: -290.148
Base-Backbone interact. energy: -1.290
local terms energy: -312.084324
where:
bonds (distance) C4'-P energy: -56.803
bonds (distance) P-C4' energy: -55.661
flat angles C4'-P-C4' energy: -66.826
flat angles P-C4'-P energy: -47.906
tors. eta vs tors. theta energy: -84.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -964.804007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.804007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.804007 (E_RNA)
where:
Base-Base interactions energy: -668.262
where: short stacking energy: -308.665
Base-Backbone interact. energy: -1.872
local terms energy: -294.670163
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -49.471
flat angles C4'-P-C4' energy: -66.333
flat angles P-C4'-P energy: -43.360
tors. eta vs tors. theta energy: -90.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -921.086285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.086285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.086285 (E_RNA)
where:
Base-Base interactions energy: -618.956
where: short stacking energy: -268.350
Base-Backbone interact. energy: -0.236
local terms energy: -301.894431
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -44.519
tors. eta vs tors. theta energy: -84.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -872.763225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.763225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.763225 (E_RNA)
where:
Base-Base interactions energy: -595.402
where: short stacking energy: -255.423
Base-Backbone interact. energy: 0.350
local terms energy: -277.710986
where:
bonds (distance) C4'-P energy: -53.525
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -72.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -878.819148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.819148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.819148 (E_RNA)
where:
Base-Base interactions energy: -600.112
where: short stacking energy: -252.427
Base-Backbone interact. energy: -0.269
local terms energy: -278.439064
where:
bonds (distance) C4'-P energy: -49.954
bonds (distance) P-C4' energy: -54.268
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -75.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -704.991333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.991333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.991333 (E_RNA)
where:
Base-Base interactions energy: -454.681
where: short stacking energy: -208.830
Base-Backbone interact. energy: -0.909
local terms energy: -249.401453
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -45.696
flat angles C4'-P-C4' energy: -60.036
flat angles P-C4'-P energy: -35.879
tors. eta vs tors. theta energy: -62.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -671.600649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.600649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.600649 (E_RNA)
where:
Base-Base interactions energy: -413.467
where: short stacking energy: -201.281
Base-Backbone interact. energy: 1.377
local terms energy: -259.510544
where:
bonds (distance) C4'-P energy: -56.756
bonds (distance) P-C4' energy: -54.865
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -60.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -499.791402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.791402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.791402 (E_RNA)
where:
Base-Base interactions energy: -306.217
where: short stacking energy: -145.854
Base-Backbone interact. energy: -2.320
local terms energy: -191.254121
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -46.363
flat angles C4'-P-C4' energy: -50.316
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -34.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -344.202675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.202675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.202675 (E_RNA)
where:
Base-Base interactions energy: -162.168
where: short stacking energy: -113.766
Base-Backbone interact. energy: 2.346
local terms energy: -184.380610
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -59.420
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -436.148158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.148158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.148158 (E_RNA)
where:
Base-Base interactions energy: -256.699
where: short stacking energy: -119.682
Base-Backbone interact. energy: -0.222
local terms energy: -179.226736
where:
bonds (distance) C4'-P energy: -43.380
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1007.735808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.735808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.735808 (E_RNA)
where:
Base-Base interactions energy: -704.454
where: short stacking energy: -292.189
Base-Backbone interact. energy: -1.080
local terms energy: -302.200957
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -42.576
tors. eta vs tors. theta energy: -90.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -979.532291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.532291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.532291 (E_RNA)
where:
Base-Base interactions energy: -659.447
where: short stacking energy: -300.513
Base-Backbone interact. energy: -0.330
local terms energy: -319.755130
where:
bonds (distance) C4'-P energy: -63.450
bonds (distance) P-C4' energy: -51.951
flat angles C4'-P-C4' energy: -64.630
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -94.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -911.079348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.079348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.079348 (E_RNA)
where:
Base-Base interactions energy: -618.548
where: short stacking energy: -257.839
Base-Backbone interact. energy: -3.409
local terms energy: -289.122158
where:
bonds (distance) C4'-P energy: -54.038
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -61.925
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -79.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -888.637567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.637567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.637567 (E_RNA)
where:
Base-Base interactions energy: -594.892
where: short stacking energy: -284.502
Base-Backbone interact. energy: -1.129
local terms energy: -292.616386
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -56.646
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: -87.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -839.329440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.329440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.329440 (E_RNA)
where:
Base-Base interactions energy: -567.747
where: short stacking energy: -239.444
Base-Backbone interact. energy: 0.869
local terms energy: -272.451953
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: -73.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -687.296446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.296446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.296446 (E_RNA)
where:
Base-Base interactions energy: -440.310
where: short stacking energy: -203.208
Base-Backbone interact. energy: -1.148
local terms energy: -245.838751
where:
bonds (distance) C4'-P energy: -51.630
bonds (distance) P-C4' energy: -60.364
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -55.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -623.972598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.972598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.972598 (E_RNA)
where:
Base-Base interactions energy: -413.177
where: short stacking energy: -194.403
Base-Backbone interact. energy: -0.548
local terms energy: -210.247986
where:
bonds (distance) C4'-P energy: -42.892
bonds (distance) P-C4' energy: -47.103
flat angles C4'-P-C4' energy: -38.143
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: -42.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -535.342778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.342778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.342778 (E_RNA)
where:
Base-Base interactions energy: -329.246
where: short stacking energy: -154.412
Base-Backbone interact. energy: -1.758
local terms energy: -204.338069
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: -37.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -388.950218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.950218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.950218 (E_RNA)
where:
Base-Base interactions energy: -210.218
where: short stacking energy: -106.182
Base-Backbone interact. energy: -0.422
local terms energy: -178.310192
where:
bonds (distance) C4'-P energy: -52.124
bonds (distance) P-C4' energy: -56.226
flat angles C4'-P-C4' energy: -37.504
flat angles P-C4'-P energy: -31.298
tors. eta vs tors. theta energy: -1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -372.157413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.157413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.157413 (E_RNA)
where:
Base-Base interactions energy: -198.876
where: short stacking energy: -100.324
Base-Backbone interact. energy: -1.554
local terms energy: -171.727049
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -49.499
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -28.523
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -994.210572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.210572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.210572 (E_RNA)
where:
Base-Base interactions energy: -684.793
where: short stacking energy: -281.130
Base-Backbone interact. energy: 0.411
local terms energy: -309.829147
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -63.331
flat angles C4'-P-C4' energy: -61.218
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: -86.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -986.742480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.742480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.742480 (E_RNA)
where:
Base-Base interactions energy: -672.633
where: short stacking energy: -299.034
Base-Backbone interact. energy: -0.242
local terms energy: -313.867676
where:
bonds (distance) C4'-P energy: -51.979
bonds (distance) P-C4' energy: -63.390
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -92.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -900.367968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.367968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.367968 (E_RNA)
where:
Base-Base interactions energy: -611.504
where: short stacking energy: -257.009
Base-Backbone interact. energy: 0.099
local terms energy: -288.963355
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -59.530
flat angles C4'-P-C4' energy: -59.903
flat angles P-C4'-P energy: -41.545
tors. eta vs tors. theta energy: -80.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -861.704855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.704855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.704855 (E_RNA)
where:
Base-Base interactions energy: -589.251
where: short stacking energy: -265.505
Base-Backbone interact. energy: -0.892
local terms energy: -271.561742
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -58.665
flat angles P-C4'-P energy: -46.011
tors. eta vs tors. theta energy: -72.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -832.917441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.917441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.917441 (E_RNA)
where:
Base-Base interactions energy: -561.970
where: short stacking energy: -244.960
Base-Backbone interact. energy: 0.366
local terms energy: -271.314025
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -58.002
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -73.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -683.638766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.638766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.638766 (E_RNA)
where:
Base-Base interactions energy: -434.047
where: short stacking energy: -198.075
Base-Backbone interact. energy: -0.641
local terms energy: -248.951400
where:
bonds (distance) C4'-P energy: -49.714
bonds (distance) P-C4' energy: -57.379
flat angles C4'-P-C4' energy: -54.699
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -52.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -645.588741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.588741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.588741 (E_RNA)
where:
Base-Base interactions energy: -429.391
where: short stacking energy: -181.175
Base-Backbone interact. energy: -0.793
local terms energy: -215.404272
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -56.863
flat angles C4'-P-C4' energy: -44.494
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -43.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -554.166839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.166839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.166839 (E_RNA)
where:
Base-Base interactions energy: -340.932
where: short stacking energy: -145.503
Base-Backbone interact. energy: -1.299
local terms energy: -211.936312
where:
bonds (distance) C4'-P energy: -48.515
bonds (distance) P-C4' energy: -49.129
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -30.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -381.672764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.672764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.672764 (E_RNA)
where:
Base-Base interactions energy: -197.991
where: short stacking energy: -111.109
Base-Backbone interact. energy: 2.974
local terms energy: -186.655645
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -369.996087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.996087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.996087 (E_RNA)
where:
Base-Base interactions energy: -222.002
where: short stacking energy: -133.772
Base-Backbone interact. energy: -0.648
local terms energy: -147.346564
where:
bonds (distance) C4'-P energy: -37.476
bonds (distance) P-C4' energy: -42.279
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -995.800263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.800263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.800263 (E_RNA)
where:
Base-Base interactions energy: -683.451
where: short stacking energy: -278.685
Base-Backbone interact. energy: -1.775
local terms energy: -310.574991
where:
bonds (distance) C4'-P energy: -60.395
bonds (distance) P-C4' energy: -66.243
flat angles C4'-P-C4' energy: -63.079
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -80.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -991.879367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.879367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.879367 (E_RNA)
where:
Base-Base interactions energy: -672.248
where: short stacking energy: -303.098
Base-Backbone interact. energy: -0.206
local terms energy: -319.425285
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -68.225
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -97.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -902.917525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.917525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.917525 (E_RNA)
where:
Base-Base interactions energy: -617.466
where: short stacking energy: -274.416
Base-Backbone interact. energy: -1.744
local terms energy: -283.706769
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -56.368
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -85.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -856.040351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.040351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.040351 (E_RNA)
where:
Base-Base interactions energy: -581.621
where: short stacking energy: -257.323
Base-Backbone interact. energy: -0.280
local terms energy: -274.139359
where:
bonds (distance) C4'-P energy: -54.046
bonds (distance) P-C4' energy: -51.924
flat angles C4'-P-C4' energy: -59.221
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -72.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -804.618182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.618182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.618182 (E_RNA)
where:
Base-Base interactions energy: -538.821
where: short stacking energy: -220.441
Base-Backbone interact. energy: -1.826
local terms energy: -263.970792
where:
bonds (distance) C4'-P energy: -59.252
bonds (distance) P-C4' energy: -50.829
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -60.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -713.419192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.419192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.419192 (E_RNA)
where:
Base-Base interactions energy: -467.103
where: short stacking energy: -207.033
Base-Backbone interact. energy: -1.752
local terms energy: -244.564291
where:
bonds (distance) C4'-P energy: -57.754
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -28.423
tors. eta vs tors. theta energy: -54.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -687.718700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.718700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.718700 (E_RNA)
where:
Base-Base interactions energy: -443.082
where: short stacking energy: -210.404
Base-Backbone interact. energy: -0.758
local terms energy: -243.878003
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -50.688
flat angles C4'-P-C4' energy: -46.609
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -58.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -565.601366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.601366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.601366 (E_RNA)
where:
Base-Base interactions energy: -352.550
where: short stacking energy: -167.406
Base-Backbone interact. energy: 2.278
local terms energy: -215.328486
where:
bonds (distance) C4'-P energy: -51.316
bonds (distance) P-C4' energy: -47.690
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -35.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -393.684218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.684218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.684218 (E_RNA)
where:
Base-Base interactions energy: -231.451
where: short stacking energy: -119.993
Base-Backbone interact. energy: -1.497
local terms energy: -160.735920
where:
bonds (distance) C4'-P energy: -42.281
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -11.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -387.784935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.784935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.784935 (E_RNA)
where:
Base-Base interactions energy: -212.159
where: short stacking energy: -116.446
Base-Backbone interact. energy: -0.917
local terms energy: -174.708397
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -51.064
flat angles C4'-P-C4' energy: -43.500
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1002.794006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.794006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.794006 (E_RNA)
where:
Base-Base interactions energy: -693.563
where: short stacking energy: -284.468
Base-Backbone interact. energy: -1.157
local terms energy: -308.073598
where:
bonds (distance) C4'-P energy: -57.818
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -56.462
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -80.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -990.191453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.191453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.191453 (E_RNA)
where:
Base-Base interactions energy: -694.343
where: short stacking energy: -304.073
Base-Backbone interact. energy: -0.547
local terms energy: -295.301441
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -44.498
flat angles C4'-P-C4' energy: -60.678
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -94.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -901.565932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.565932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.565932 (E_RNA)
where:
Base-Base interactions energy: -631.525
where: short stacking energy: -274.771
Base-Backbone interact. energy: -0.349
local terms energy: -269.692348
where:
bonds (distance) C4'-P energy: -49.373
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -56.184
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -76.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -883.043697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.043697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.043697 (E_RNA)
where:
Base-Base interactions energy: -602.162
where: short stacking energy: -262.165
Base-Backbone interact. energy: -0.281
local terms energy: -280.600284
where:
bonds (distance) C4'-P energy: -51.420
bonds (distance) P-C4' energy: -52.794
flat angles C4'-P-C4' energy: -55.070
flat angles P-C4'-P energy: -37.921
tors. eta vs tors. theta energy: -83.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -816.136490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.136490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.136490 (E_RNA)
where:
Base-Base interactions energy: -543.202
where: short stacking energy: -252.874
Base-Backbone interact. energy: -0.362
local terms energy: -272.572560
where:
bonds (distance) C4'-P energy: -60.923
bonds (distance) P-C4' energy: -47.177
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -36.436
tors. eta vs tors. theta energy: -68.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -741.417195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.417195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.417195 (E_RNA)
where:
Base-Base interactions energy: -510.956
where: short stacking energy: -212.009
Base-Backbone interact. energy: -0.414
local terms energy: -230.047239
where:
bonds (distance) C4'-P energy: -46.318
bonds (distance) P-C4' energy: -42.212
flat angles C4'-P-C4' energy: -53.019
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -51.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -655.234560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.234560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.234560 (E_RNA)
where:
Base-Base interactions energy: -420.479
where: short stacking energy: -178.925
Base-Backbone interact. energy: -1.718
local terms energy: -233.037736
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -47.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -535.050862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.050862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.050862 (E_RNA)
where:
Base-Base interactions energy: -306.188
where: short stacking energy: -152.690
Base-Backbone interact. energy: -0.764
local terms energy: -228.098260
where:
bonds (distance) C4'-P energy: -52.449
bonds (distance) P-C4' energy: -59.325
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -31.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -402.437262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.437262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.437262 (E_RNA)
where:
Base-Base interactions energy: -216.414
where: short stacking energy: -117.128
Base-Backbone interact. energy: -0.682
local terms energy: -185.340474
where:
bonds (distance) C4'-P energy: -43.870
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -51.816
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -439.641022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.641022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.641022 (E_RNA)
where:
Base-Base interactions energy: -262.154
where: short stacking energy: -119.420
Base-Backbone interact. energy: 0.085
local terms energy: -177.572836
where:
bonds (distance) C4'-P energy: -47.966
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1001.377222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.377222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.377222 (E_RNA)
where:
Base-Base interactions energy: -698.971
where: short stacking energy: -286.245
Base-Backbone interact. energy: -3.579
local terms energy: -298.827649
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -972.750642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.750642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.750642 (E_RNA)
where:
Base-Base interactions energy: -662.143
where: short stacking energy: -294.851
Base-Backbone interact. energy: -0.361
local terms energy: -310.246067
where:
bonds (distance) C4'-P energy: -59.132
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -63.062
flat angles P-C4'-P energy: -34.475
tors. eta vs tors. theta energy: -94.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -925.452878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.452878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.452878 (E_RNA)
where:
Base-Base interactions energy: -639.535
where: short stacking energy: -259.406
Base-Backbone interact. energy: -1.332
local terms energy: -284.585697
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -65.393
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -76.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -865.022621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.022621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.022621 (E_RNA)
where:
Base-Base interactions energy: -573.361
where: short stacking energy: -254.060
Base-Backbone interact. energy: -2.790
local terms energy: -288.872015
where:
bonds (distance) C4'-P energy: -55.805
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -62.374
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -72.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -878.897083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.897083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.897083 (E_RNA)
where:
Base-Base interactions energy: -599.523
where: short stacking energy: -263.169
Base-Backbone interact. energy: -0.446
local terms energy: -278.927905
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -64.894
flat angles P-C4'-P energy: -38.148
tors. eta vs tors. theta energy: -83.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -741.274078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.274078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.274078 (E_RNA)
where:
Base-Base interactions energy: -497.629
where: short stacking energy: -211.995
Base-Backbone interact. energy: -1.138
local terms energy: -242.506636
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -60.535
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: -46.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -676.904151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.904151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.904151 (E_RNA)
where:
Base-Base interactions energy: -435.499
where: short stacking energy: -202.929
Base-Backbone interact. energy: -0.131
local terms energy: -241.273682
where:
bonds (distance) C4'-P energy: -41.459
bonds (distance) P-C4' energy: -51.164
flat angles C4'-P-C4' energy: -53.209
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: -58.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -496.168580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.168580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.168580 (E_RNA)
where:
Base-Base interactions energy: -298.485
where: short stacking energy: -143.754
Base-Backbone interact. energy: 3.702
local terms energy: -201.385446
where:
bonds (distance) C4'-P energy: -51.434
bonds (distance) P-C4' energy: -49.503
flat angles C4'-P-C4' energy: -44.078
flat angles P-C4'-P energy: -31.862
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -376.166911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.166911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.166911 (E_RNA)
where:
Base-Base interactions energy: -208.247
where: short stacking energy: -116.522
Base-Backbone interact. energy: 2.729
local terms energy: -170.649318
where:
bonds (distance) C4'-P energy: -42.361
bonds (distance) P-C4' energy: -30.725
flat angles C4'-P-C4' energy: -53.353
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -429.914794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.914794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.914794 (E_RNA)
where:
Base-Base interactions energy: -252.355
where: short stacking energy: -124.862
Base-Backbone interact. energy: 2.730
local terms energy: -180.290208
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1022.393649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.393649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.393649 (E_RNA)
where:
Base-Base interactions energy: -697.557
where: short stacking energy: -314.572
Base-Backbone interact. energy: -0.509
local terms energy: -324.327611
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -50.897
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -49.318
tors. eta vs tors. theta energy: -97.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -963.402913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.402913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.402913 (E_RNA)
where:
Base-Base interactions energy: -668.682
where: short stacking energy: -266.237
Base-Backbone interact. energy: -0.949
local terms energy: -293.771915
where:
bonds (distance) C4'-P energy: -58.916
bonds (distance) P-C4' energy: -55.323
flat angles C4'-P-C4' energy: -66.553
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -75.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -894.580379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.580379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.580379 (E_RNA)
where:
Base-Base interactions energy: -603.792
where: short stacking energy: -258.243
Base-Backbone interact. energy: -2.027
local terms energy: -288.761731
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -58.708
flat angles C4'-P-C4' energy: -62.068
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -78.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -858.343664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.343664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.343664 (E_RNA)
where:
Base-Base interactions energy: -571.539
where: short stacking energy: -257.066
Base-Backbone interact. energy: 1.471
local terms energy: -288.274988
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -76.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -851.695233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.695233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.695233 (E_RNA)
where:
Base-Base interactions energy: -583.815
where: short stacking energy: -268.813
Base-Backbone interact. energy: -3.281
local terms energy: -264.599303
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -56.452
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -72.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -735.157939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.157939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.157939 (E_RNA)
where:
Base-Base interactions energy: -485.541
where: short stacking energy: -204.850
Base-Backbone interact. energy: 1.438
local terms energy: -251.054246
where:
bonds (distance) C4'-P energy: -49.325
bonds (distance) P-C4' energy: -58.924
flat angles C4'-P-C4' energy: -50.966
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -57.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -640.788500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.788500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.788500 (E_RNA)
where:
Base-Base interactions energy: -406.780
where: short stacking energy: -182.445
Base-Backbone interact. energy: 3.402
local terms energy: -237.410997
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -43.161
flat angles C4'-P-C4' energy: -56.600
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -47.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -503.282606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.282606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.282606 (E_RNA)
where:
Base-Base interactions energy: -307.505
where: short stacking energy: -162.187
Base-Backbone interact. energy: 2.280
local terms energy: -198.057104
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -48.501
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -457.858780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.858780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.858780 (E_RNA)
where:
Base-Base interactions energy: -278.421
where: short stacking energy: -113.264
Base-Backbone interact. energy: -1.396
local terms energy: -178.041761
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -38.588
flat angles P-C4'-P energy: -38.018
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -313.326495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.326495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.326495 (E_RNA)
where:
Base-Base interactions energy: -148.493
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.265
local terms energy: -164.568264
where:
bonds (distance) C4'-P energy: -46.060
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -55.363
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1017.409870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.409870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.409870 (E_RNA)
where:
Base-Base interactions energy: -676.147
where: short stacking energy: -307.974
Base-Backbone interact. energy: -1.077
local terms energy: -340.185679
where:
bonds (distance) C4'-P energy: -59.632
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -66.908
flat angles P-C4'-P energy: -46.966
tors. eta vs tors. theta energy: -104.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -978.456437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.456437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.456437 (E_RNA)
where:
Base-Base interactions energy: -689.673
where: short stacking energy: -281.362
Base-Backbone interact. energy: -0.647
local terms energy: -288.136832
where:
bonds (distance) C4'-P energy: -45.053
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -58.150
flat angles P-C4'-P energy: -49.820
tors. eta vs tors. theta energy: -81.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -916.348955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.348955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.348955 (E_RNA)
where:
Base-Base interactions energy: -626.922
where: short stacking energy: -274.319
Base-Backbone interact. energy: -1.635
local terms energy: -287.792299
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -52.622
flat angles C4'-P-C4' energy: -61.423
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -85.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -854.420237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.420237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.420237 (E_RNA)
where:
Base-Base interactions energy: -573.126
where: short stacking energy: -264.880
Base-Backbone interact. energy: -0.861
local terms energy: -280.433569
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -53.641
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -78.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -851.785138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.785138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.785138 (E_RNA)
where:
Base-Base interactions energy: -581.478
where: short stacking energy: -247.090
Base-Backbone interact. energy: -0.741
local terms energy: -269.565953
where:
bonds (distance) C4'-P energy: -44.247
bonds (distance) P-C4' energy: -58.086
flat angles C4'-P-C4' energy: -60.812
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -72.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -705.951126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.951126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.951126 (E_RNA)
where:
Base-Base interactions energy: -476.775
where: short stacking energy: -209.030
Base-Backbone interact. energy: -0.638
local terms energy: -228.538139
where:
bonds (distance) C4'-P energy: -33.253
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -48.100
flat angles P-C4'-P energy: -40.478
tors. eta vs tors. theta energy: -52.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -653.522620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.522620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.522620 (E_RNA)
where:
Base-Base interactions energy: -433.252
where: short stacking energy: -196.847
Base-Backbone interact. energy: -1.422
local terms energy: -218.848712
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -27.282
tors. eta vs tors. theta energy: -46.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -571.593492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.593492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.593492 (E_RNA)
where:
Base-Base interactions energy: -342.162
where: short stacking energy: -170.561
Base-Backbone interact. energy: -0.632
local terms energy: -228.799252
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -35.165
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -43.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -473.241517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.241517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.241517 (E_RNA)
where:
Base-Base interactions energy: -296.354
where: short stacking energy: -139.976
Base-Backbone interact. energy: -1.371
local terms energy: -175.517283
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -323.267196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.267196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.267196 (E_RNA)
where:
Base-Base interactions energy: -163.435
where: short stacking energy: -91.798
Base-Backbone interact. energy: -1.532
local terms energy: -158.299940
where:
bonds (distance) C4'-P energy: -53.584
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -997.003358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.003358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.003358 (E_RNA)
where:
Base-Base interactions energy: -680.792
where: short stacking energy: -307.771
Base-Backbone interact. energy: -0.896
local terms energy: -315.315222
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -60.225
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: -97.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -988.118736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.118736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.118736 (E_RNA)
where:
Base-Base interactions energy: -693.233
where: short stacking energy: -279.278
Base-Backbone interact. energy: 0.405
local terms energy: -295.290071
where:
bonds (distance) C4'-P energy: -55.425
bonds (distance) P-C4' energy: -57.443
flat angles C4'-P-C4' energy: -59.763
flat angles P-C4'-P energy: -43.858
tors. eta vs tors. theta energy: -78.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -919.471461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.471461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.471461 (E_RNA)
where:
Base-Base interactions energy: -629.702
where: short stacking energy: -276.376
Base-Backbone interact. energy: -1.795
local terms energy: -287.975246
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -48.529
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -77.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -864.854460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.854460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.854460 (E_RNA)
where:
Base-Base interactions energy: -580.595
where: short stacking energy: -268.108
Base-Backbone interact. energy: 2.665
local terms energy: -286.924228
where:
bonds (distance) C4'-P energy: -61.419
bonds (distance) P-C4' energy: -52.466
flat angles C4'-P-C4' energy: -55.051
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -77.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -872.227993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.227993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.227993 (E_RNA)
where:
Base-Base interactions energy: -593.270
where: short stacking energy: -268.767
Base-Backbone interact. energy: 2.124
local terms energy: -281.081440
where:
bonds (distance) C4'-P energy: -54.357
bonds (distance) P-C4' energy: -53.960
flat angles C4'-P-C4' energy: -52.018
flat angles P-C4'-P energy: -35.843
tors. eta vs tors. theta energy: -84.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -694.343999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.343999 (E_RNA)
where:
Base-Base interactions energy: -467.049
where: short stacking energy: -193.985
Base-Backbone interact. energy: -1.200
local terms energy: -226.094653
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -47.203
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -42.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -692.867610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.867610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.867610 (E_RNA)
where:
Base-Base interactions energy: -469.670
where: short stacking energy: -217.722
Base-Backbone interact. energy: -3.154
local terms energy: -220.043127
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -38.073
flat angles C4'-P-C4' energy: -48.777
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -53.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -537.097637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.097637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.097637 (E_RNA)
where:
Base-Base interactions energy: -345.884
where: short stacking energy: -167.718
Base-Backbone interact. energy: -0.070
local terms energy: -191.143522
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -53.860
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -27.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -420.445226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.445226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.445226 (E_RNA)
where:
Base-Base interactions energy: -206.192
where: short stacking energy: -118.513
Base-Backbone interact. energy: -1.593
local terms energy: -212.660346
where:
bonds (distance) C4'-P energy: -43.620
bonds (distance) P-C4' energy: -58.588
flat angles C4'-P-C4' energy: -59.453
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -286.920713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.920713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.920713 (E_RNA)
where:
Base-Base interactions energy: -137.843
where: short stacking energy: -69.529
Base-Backbone interact. energy: 3.611
local terms energy: -152.688670
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -44.106
flat angles C4'-P-C4' energy: -42.903
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: 8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1012.985945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.985945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.985945 (E_RNA)
where:
Base-Base interactions energy: -679.534
where: short stacking energy: -309.877
Base-Backbone interact. energy: -0.051
local terms energy: -333.401527
where:
bonds (distance) C4'-P energy: -58.272
bonds (distance) P-C4' energy: -55.054
flat angles C4'-P-C4' energy: -67.187
flat angles P-C4'-P energy: -51.114
tors. eta vs tors. theta energy: -101.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -971.281887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.281887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.281887 (E_RNA)
where:
Base-Base interactions energy: -681.329
where: short stacking energy: -266.422
Base-Backbone interact. energy: -0.796
local terms energy: -289.157378
where:
bonds (distance) C4'-P energy: -56.304
bonds (distance) P-C4' energy: -61.101
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -43.789
tors. eta vs tors. theta energy: -73.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -909.340599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.340599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.340599 (E_RNA)
where:
Base-Base interactions energy: -625.581
where: short stacking energy: -262.710
Base-Backbone interact. energy: -1.254
local terms energy: -282.505934
where:
bonds (distance) C4'-P energy: -45.199
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -64.396
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -78.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -843.199822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.199822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.199822 (E_RNA)
where:
Base-Base interactions energy: -551.742
where: short stacking energy: -257.297
Base-Backbone interact. energy: -0.353
local terms energy: -291.104379
where:
bonds (distance) C4'-P energy: -43.999
bonds (distance) P-C4' energy: -61.625
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -73.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -839.064778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.064778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.064778 (E_RNA)
where:
Base-Base interactions energy: -543.275
where: short stacking energy: -261.614
Base-Backbone interact. energy: -0.311
local terms energy: -295.479332
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -76.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -727.148163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.148163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.148163 (E_RNA)
where:
Base-Base interactions energy: -475.930
where: short stacking energy: -205.693
Base-Backbone interact. energy: -1.625
local terms energy: -249.593232
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -43.747
flat angles P-C4'-P energy: -37.724
tors. eta vs tors. theta energy: -57.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -723.145058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.145058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.145058 (E_RNA)
where:
Base-Base interactions energy: -491.347
where: short stacking energy: -229.820
Base-Backbone interact. energy: -0.985
local terms energy: -230.813173
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -29.242
tors. eta vs tors. theta energy: -60.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -519.318959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.318959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.318959 (E_RNA)
where:
Base-Base interactions energy: -330.704
where: short stacking energy: -163.896
Base-Backbone interact. energy: -2.033
local terms energy: -186.581650
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -41.938
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -392.909593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.909593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.909593 (E_RNA)
where:
Base-Base interactions energy: -224.806
where: short stacking energy: -139.417
Base-Backbone interact. energy: -0.529
local terms energy: -167.574786
where:
bonds (distance) C4'-P energy: -39.560
bonds (distance) P-C4' energy: -44.762
flat angles C4'-P-C4' energy: -50.154
flat angles P-C4'-P energy: -16.461
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -351.119000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.119000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.119000 (E_RNA)
where:
Base-Base interactions energy: -195.389
where: short stacking energy: -96.972
Base-Backbone interact. energy: -0.714
local terms energy: -155.016257
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -48.926
flat angles P-C4'-P energy: -21.343
tors. eta vs tors. theta energy: 2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1011.047507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.047507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.047507 (E_RNA)
where:
Base-Base interactions energy: -690.700
where: short stacking energy: -312.265
Base-Backbone interact. energy: -2.332
local terms energy: -318.015562
where:
bonds (distance) C4'-P energy: -59.653
bonds (distance) P-C4' energy: -54.538
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -44.682
tors. eta vs tors. theta energy: -95.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -979.891864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.891864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.891864 (E_RNA)
where:
Base-Base interactions energy: -686.225
where: short stacking energy: -275.615
Base-Backbone interact. energy: -2.640
local terms energy: -291.026432
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -80.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -931.046663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.046663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.046663 (E_RNA)
where:
Base-Base interactions energy: -634.899
where: short stacking energy: -278.645
Base-Backbone interact. energy: -1.817
local terms energy: -294.330752
where:
bonds (distance) C4'-P energy: -56.979
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -67.388
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -87.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -831.475682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.475682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.475682 (E_RNA)
where:
Base-Base interactions energy: -569.989
where: short stacking energy: -268.791
Base-Backbone interact. energy: -0.976
local terms energy: -260.510470
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -45.552
flat angles C4'-P-C4' energy: -45.382
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -75.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -816.175828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.175828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.175828 (E_RNA)
where:
Base-Base interactions energy: -546.037
where: short stacking energy: -234.720
Base-Backbone interact. energy: -1.430
local terms energy: -268.708813
where:
bonds (distance) C4'-P energy: -45.798
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -59.332
flat angles P-C4'-P energy: -43.588
tors. eta vs tors. theta energy: -71.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -743.533850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.533850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.533850 (E_RNA)
where:
Base-Base interactions energy: -499.822
where: short stacking energy: -211.223
Base-Backbone interact. energy: -0.777
local terms energy: -242.934813
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -47.367
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -52.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -712.480773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.480773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.480773 (E_RNA)
where:
Base-Base interactions energy: -478.594
where: short stacking energy: -207.607
Base-Backbone interact. energy: -0.254
local terms energy: -233.632690
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -50.455
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -51.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -544.804335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.804335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.804335 (E_RNA)
where:
Base-Base interactions energy: -348.611
where: short stacking energy: -159.088
Base-Backbone interact. energy: 0.495
local terms energy: -196.687727
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -53.364
flat angles C4'-P-C4' energy: -50.083
flat angles P-C4'-P energy: -28.490
tors. eta vs tors. theta energy: -27.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -428.657321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.657321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.657321 (E_RNA)
where:
Base-Base interactions energy: -228.585
where: short stacking energy: -120.786
Base-Backbone interact. energy: -0.256
local terms energy: -199.816911
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -56.087
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -334.759291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.759291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.759291 (E_RNA)
where:
Base-Base interactions energy: -159.939
where: short stacking energy: -89.694
Base-Backbone interact. energy: -0.157
local terms energy: -174.663278
where:
bonds (distance) C4'-P energy: -45.920
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -46.233
flat angles P-C4'-P energy: -31.595
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1007.184796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.184796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.184796 (E_RNA)
where:
Base-Base interactions energy: -676.069
where: short stacking energy: -297.549
Base-Backbone interact. energy: -0.300
local terms energy: -330.815429
where:
bonds (distance) C4'-P energy: -64.118
bonds (distance) P-C4' energy: -62.515
flat angles C4'-P-C4' energy: -65.884
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -98.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -980.881708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.881708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.881708 (E_RNA)
where:
Base-Base interactions energy: -686.088
where: short stacking energy: -282.006
Base-Backbone interact. energy: -0.763
local terms energy: -294.030277
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -68.170
flat angles P-C4'-P energy: -46.789
tors. eta vs tors. theta energy: -75.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -935.471590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.471590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.471590 (E_RNA)
where:
Base-Base interactions energy: -625.966
where: short stacking energy: -254.326
Base-Backbone interact. energy: -3.470
local terms energy: -306.035830
where:
bonds (distance) C4'-P energy: -56.883
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -45.715
tors. eta vs tors. theta energy: -84.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -858.790771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.790771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.790771 (E_RNA)
where:
Base-Base interactions energy: -578.710
where: short stacking energy: -240.573
Base-Backbone interact. energy: -1.598
local terms energy: -278.483049
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -57.566
flat angles C4'-P-C4' energy: -55.947
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -71.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -812.362982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.362982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.362982 (E_RNA)
where:
Base-Base interactions energy: -546.181
where: short stacking energy: -235.348
Base-Backbone interact. energy: -1.678
local terms energy: -264.504297
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -47.767
flat angles C4'-P-C4' energy: -58.344
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -61.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -726.806055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.806055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.806055 (E_RNA)
where:
Base-Base interactions energy: -489.126
where: short stacking energy: -230.306
Base-Backbone interact. energy: -0.436
local terms energy: -237.244002
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -53.989
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -63.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -681.753919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.753919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.753919 (E_RNA)
where:
Base-Base interactions energy: -456.131
where: short stacking energy: -205.545
Base-Backbone interact. energy: -2.067
local terms energy: -223.555698
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -55.418
flat angles C4'-P-C4' energy: -52.931
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -47.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -545.703402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.703402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.703402 (E_RNA)
where:
Base-Base interactions energy: -334.347
where: short stacking energy: -152.502
Base-Backbone interact. energy: -1.706
local terms energy: -209.650704
where:
bonds (distance) C4'-P energy: -45.750
bonds (distance) P-C4' energy: -49.840
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -28.930
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -416.013128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.013128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.013128 (E_RNA)
where:
Base-Base interactions energy: -221.989
where: short stacking energy: -133.712
Base-Backbone interact. energy: 1.540
local terms energy: -195.564523
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -46.160
flat angles C4'-P-C4' energy: -38.313
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -29.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -335.776045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.776045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.776045 (E_RNA)
where:
Base-Base interactions energy: -165.554
where: short stacking energy: -82.138
Base-Backbone interact. energy: 1.361
local terms energy: -171.583072
where:
bonds (distance) C4'-P energy: -41.960
bonds (distance) P-C4' energy: -59.583
flat angles C4'-P-C4' energy: -30.259
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -989.510865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.510865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.510865 (E_RNA)
where:
Base-Base interactions energy: -691.722
where: short stacking energy: -270.054
Base-Backbone interact. energy: -2.543
local terms energy: -295.245964
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -60.681
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -76.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -988.475083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.475083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.475083 (E_RNA)
where:
Base-Base interactions energy: -666.346
where: short stacking energy: -311.204
Base-Backbone interact. energy: -1.268
local terms energy: -320.861727
where:
bonds (distance) C4'-P energy: -55.098
bonds (distance) P-C4' energy: -61.077
flat angles C4'-P-C4' energy: -63.942
flat angles P-C4'-P energy: -45.084
tors. eta vs tors. theta energy: -95.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -855.507724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.507724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.507724 (E_RNA)
where:
Base-Base interactions energy: -569.765
where: short stacking energy: -271.328
Base-Backbone interact. energy: -2.006
local terms energy: -283.736611
where:
bonds (distance) C4'-P energy: -54.798
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -82.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -894.433055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.433055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.433055 (E_RNA)
where:
Base-Base interactions energy: -620.799
where: short stacking energy: -255.525
Base-Backbone interact. energy: 0.540
local terms energy: -274.173611
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -53.097
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -80.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -812.520409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.520409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.520409 (E_RNA)
where:
Base-Base interactions energy: -561.083
where: short stacking energy: -252.806
Base-Backbone interact. energy: -0.713
local terms energy: -250.724990
where:
bonds (distance) C4'-P energy: -45.511
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -72.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -739.774292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.774292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.774292 (E_RNA)
where:
Base-Base interactions energy: -507.407
where: short stacking energy: -211.276
Base-Backbone interact. energy: 3.887
local terms energy: -236.254242
where:
bonds (distance) C4'-P energy: -51.557
bonds (distance) P-C4' energy: -42.214
flat angles C4'-P-C4' energy: -53.930
flat angles P-C4'-P energy: -36.942
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -657.458774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.458774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.458774 (E_RNA)
where:
Base-Base interactions energy: -433.219
where: short stacking energy: -198.608
Base-Backbone interact. energy: -1.453
local terms energy: -222.786892
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -40.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -573.687609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.687609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.687609 (E_RNA)
where:
Base-Base interactions energy: -373.323
where: short stacking energy: -171.237
Base-Backbone interact. energy: 0.517
local terms energy: -200.882487
where:
bonds (distance) C4'-P energy: -46.935
bonds (distance) P-C4' energy: -56.169
flat angles C4'-P-C4' energy: -42.504
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: -32.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -345.038078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.038078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.038078 (E_RNA)
where:
Base-Base interactions energy: -182.674
where: short stacking energy: -123.274
Base-Backbone interact. energy: 0.280
local terms energy: -162.643654
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -396.771910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.771910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.771910 (E_RNA)
where:
Base-Base interactions energy: -209.115
where: short stacking energy: -104.663
Base-Backbone interact. energy: -0.144
local terms energy: -187.512446
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -45.365
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1002.864939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.864939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.864939 (E_RNA)
where:
Base-Base interactions energy: -715.257
where: short stacking energy: -291.031
Base-Backbone interact. energy: -1.712
local terms energy: -285.895954
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -49.044
tors. eta vs tors. theta energy: -76.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -980.869695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.869695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.869695 (E_RNA)
where:
Base-Base interactions energy: -660.028
where: short stacking energy: -294.542
Base-Backbone interact. energy: -0.468
local terms energy: -320.373433
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -94.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -858.220764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.220764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.220764 (E_RNA)
where:
Base-Base interactions energy: -567.101
where: short stacking energy: -255.187
Base-Backbone interact. energy: -0.504
local terms energy: -290.616625
where:
bonds (distance) C4'-P energy: -57.081
bonds (distance) P-C4' energy: -51.360
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -75.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -841.782123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.782123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.782123 (E_RNA)
where:
Base-Base interactions energy: -582.245
where: short stacking energy: -257.265
Base-Backbone interact. energy: -0.242
local terms energy: -259.294813
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -56.502
flat angles C4'-P-C4' energy: -60.577
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -71.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -867.825027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.825027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.825027 (E_RNA)
where:
Base-Base interactions energy: -588.695
where: short stacking energy: -260.841
Base-Backbone interact. energy: -0.742
local terms energy: -278.388262
where:
bonds (distance) C4'-P energy: -58.608
bonds (distance) P-C4' energy: -49.449
flat angles C4'-P-C4' energy: -54.798
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -77.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -755.198298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.198298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.198298 (E_RNA)
where:
Base-Base interactions energy: -509.540
where: short stacking energy: -225.044
Base-Backbone interact. energy: -1.340
local terms energy: -244.317859
where:
bonds (distance) C4'-P energy: -45.155
bonds (distance) P-C4' energy: -49.978
flat angles C4'-P-C4' energy: -57.162
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -59.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -637.460563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.460563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.460563 (E_RNA)
where:
Base-Base interactions energy: -405.202
where: short stacking energy: -184.310
Base-Backbone interact. energy: -1.035
local terms energy: -231.223987
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -62.820
flat angles C4'-P-C4' energy: -46.722
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -41.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -642.801675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.801675 (E_RNA)
where:
Base-Base interactions energy: -427.474
where: short stacking energy: -182.200
Base-Backbone interact. energy: -1.386
local terms energy: -213.941716
where:
bonds (distance) C4'-P energy: -39.382
bonds (distance) P-C4' energy: -48.169
flat angles C4'-P-C4' energy: -43.111
flat angles P-C4'-P energy: -39.063
tors. eta vs tors. theta energy: -44.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -322.948572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.948572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.948572 (E_RNA)
where:
Base-Base interactions energy: -137.311
where: short stacking energy: -89.890
Base-Backbone interact. energy: 0.723
local terms energy: -186.360152
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -46.669
flat angles P-C4'-P energy: -28.650
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -394.984419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.984419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.984419 (E_RNA)
where:
Base-Base interactions energy: -195.474
where: short stacking energy: -109.984
Base-Backbone interact. energy: -2.111
local terms energy: -197.400072
where:
bonds (distance) C4'-P energy: -54.485
bonds (distance) P-C4' energy: -47.900
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -995.856669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.856669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.856669 (E_RNA)
where:
Base-Base interactions energy: -670.995
where: short stacking energy: -301.812
Base-Backbone interact. energy: 0.036
local terms energy: -324.898331
where:
bonds (distance) C4'-P energy: -57.812
bonds (distance) P-C4' energy: -60.351
flat angles C4'-P-C4' energy: -67.459
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -93.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -984.316007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.316007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.316007 (E_RNA)
where:
Base-Base interactions energy: -694.630
where: short stacking energy: -267.627
Base-Backbone interact. energy: -1.553
local terms energy: -288.132364
where:
bonds (distance) C4'-P energy: -53.380
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -41.097
tors. eta vs tors. theta energy: -76.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -891.048374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.048374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.048374 (E_RNA)
where:
Base-Base interactions energy: -605.373
where: short stacking energy: -249.946
Base-Backbone interact. energy: -0.231
local terms energy: -285.444090
where:
bonds (distance) C4'-P energy: -56.035
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -63.173
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -72.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -828.487901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.487901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.487901 (E_RNA)
where:
Base-Base interactions energy: -557.045
where: short stacking energy: -255.446
Base-Backbone interact. energy: -0.904
local terms energy: -270.539119
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -47.943
flat angles C4'-P-C4' energy: -58.572
flat angles P-C4'-P energy: -44.363
tors. eta vs tors. theta energy: -71.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -860.931713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.931713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.931713 (E_RNA)
where:
Base-Base interactions energy: -591.886
where: short stacking energy: -244.399
Base-Backbone interact. energy: -1.038
local terms energy: -268.007883
where:
bonds (distance) C4'-P energy: -50.620
bonds (distance) P-C4' energy: -61.697
flat angles C4'-P-C4' energy: -52.519
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -67.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -755.864257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.864257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.864257 (E_RNA)
where:
Base-Base interactions energy: -482.982
where: short stacking energy: -213.483
Base-Backbone interact. energy: -0.888
local terms energy: -271.994538
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -63.765
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -58.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -677.389038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.389038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.389038 (E_RNA)
where:
Base-Base interactions energy: -452.092
where: short stacking energy: -191.733
Base-Backbone interact. energy: -0.082
local terms energy: -225.214987
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -51.618
flat angles P-C4'-P energy: -22.808
tors. eta vs tors. theta energy: -41.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -625.029400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.029400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.029400 (E_RNA)
where:
Base-Base interactions energy: -422.124
where: short stacking energy: -174.024
Base-Backbone interact. energy: -1.262
local terms energy: -201.643750
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -28.846
tors. eta vs tors. theta energy: -43.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -470.712529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.712529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.712529 (E_RNA)
where:
Base-Base interactions energy: -272.799
where: short stacking energy: -132.912
Base-Backbone interact. energy: -0.270
local terms energy: -197.643130
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -52.736
flat angles C4'-P-C4' energy: -50.989
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -316.988718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.988718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.988718 (E_RNA)
where:
Base-Base interactions energy: -153.286
where: short stacking energy: -95.675
Base-Backbone interact. energy: -0.544
local terms energy: -163.158981
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -37.224
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -999.568789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.568789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.568789 (E_RNA)
where:
Base-Base interactions energy: -684.282
where: short stacking energy: -310.981
Base-Backbone interact. energy: -0.339
local terms energy: -314.947320
where:
bonds (distance) C4'-P energy: -57.941
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -43.566
tors. eta vs tors. theta energy: -97.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -943.534285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.534285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.534285 (E_RNA)
where:
Base-Base interactions energy: -631.820
where: short stacking energy: -269.428
Base-Backbone interact. energy: -0.153
local terms energy: -311.561577
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -67.966
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -84.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -963.719606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.719606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.719606 (E_RNA)
where:
Base-Base interactions energy: -668.480
where: short stacking energy: -290.563
Base-Backbone interact. energy: -2.680
local terms energy: -292.558847
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -52.251
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -82.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -858.236281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.236281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.236281 (E_RNA)
where:
Base-Base interactions energy: -584.199
where: short stacking energy: -236.166
Base-Backbone interact. energy: -1.909
local terms energy: -272.127930
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -52.685
flat angles C4'-P-C4' energy: -62.429
flat angles P-C4'-P energy: -35.200
tors. eta vs tors. theta energy: -67.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -837.154183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.154183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.154183 (E_RNA)
where:
Base-Base interactions energy: -568.353
where: short stacking energy: -263.219
Base-Backbone interact. energy: -1.833
local terms energy: -266.968082
where:
bonds (distance) C4'-P energy: -61.847
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -55.180
flat angles P-C4'-P energy: -32.616
tors. eta vs tors. theta energy: -75.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -731.974871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.974871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.974871 (E_RNA)
where:
Base-Base interactions energy: -488.374
where: short stacking energy: -214.570
Base-Backbone interact. energy: -1.241
local terms energy: -242.360519
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -55.250
flat angles C4'-P-C4' energy: -57.270
flat angles P-C4'-P energy: -32.733
tors. eta vs tors. theta energy: -54.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -702.890188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.890188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.890188 (E_RNA)
where:
Base-Base interactions energy: -477.159
where: short stacking energy: -192.820
Base-Backbone interact. energy: 3.094
local terms energy: -228.825113
where:
bonds (distance) C4'-P energy: -53.172
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -51.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -591.487273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.487273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.487273 (E_RNA)
where:
Base-Base interactions energy: -356.379
where: short stacking energy: -165.561
Base-Backbone interact. energy: -0.971
local terms energy: -234.137249
where:
bonds (distance) C4'-P energy: -45.499
bonds (distance) P-C4' energy: -54.194
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -45.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -468.656351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.656351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.656351 (E_RNA)
where:
Base-Base interactions energy: -273.057
where: short stacking energy: -152.358
Base-Backbone interact. energy: -0.532
local terms energy: -195.067186
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -49.373
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -30.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -363.348467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.348467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.348467 (E_RNA)
where:
Base-Base interactions energy: -198.670
where: short stacking energy: -106.647
Base-Backbone interact. energy: -1.399
local terms energy: -163.279675
where:
bonds (distance) C4'-P energy: -42.912
bonds (distance) P-C4' energy: -51.538
flat angles C4'-P-C4' energy: -43.206
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1014.525636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.525636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.525636 (E_RNA)
where:
Base-Base interactions energy: -686.249
where: short stacking energy: -307.604
Base-Backbone interact. energy: -1.582
local terms energy: -326.694682
where:
bonds (distance) C4'-P energy: -53.186
bonds (distance) P-C4' energy: -60.774
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -98.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -951.624236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.624236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.624236 (E_RNA)
where:
Base-Base interactions energy: -656.137
where: short stacking energy: -301.242
Base-Backbone interact. energy: -0.774
local terms energy: -294.712790
where:
bonds (distance) C4'-P energy: -51.207
bonds (distance) P-C4' energy: -49.875
flat angles C4'-P-C4' energy: -63.561
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -86.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -942.026770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.026770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.026770 (E_RNA)
where:
Base-Base interactions energy: -671.306
where: short stacking energy: -263.590
Base-Backbone interact. energy: -0.035
local terms energy: -270.685183
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -62.769
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -75.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -892.477563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.477563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.477563 (E_RNA)
where:
Base-Base interactions energy: -620.960
where: short stacking energy: -265.272
Base-Backbone interact. energy: -2.397
local terms energy: -269.120114
where:
bonds (distance) C4'-P energy: -58.363
bonds (distance) P-C4' energy: -49.595
flat angles C4'-P-C4' energy: -62.441
flat angles P-C4'-P energy: -27.981
tors. eta vs tors. theta energy: -70.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -827.578014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.578014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.578014 (E_RNA)
where:
Base-Base interactions energy: -556.792
where: short stacking energy: -256.156
Base-Backbone interact. energy: -1.348
local terms energy: -269.437872
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: -69.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -718.756716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.756716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.756716 (E_RNA)
where:
Base-Base interactions energy: -470.608
where: short stacking energy: -219.581
Base-Backbone interact. energy: -1.556
local terms energy: -246.592211
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -55.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -714.901505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.901505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.901505 (E_RNA)
where:
Base-Base interactions energy: -473.595
where: short stacking energy: -210.264
Base-Backbone interact. energy: -0.643
local terms energy: -240.663268
where:
bonds (distance) C4'-P energy: -54.421
bonds (distance) P-C4' energy: -45.574
flat angles C4'-P-C4' energy: -46.808
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: -53.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -562.074755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.074755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.074755 (E_RNA)
where:
Base-Base interactions energy: -357.491
where: short stacking energy: -171.970
Base-Backbone interact. energy: -0.513
local terms energy: -204.070691
where:
bonds (distance) C4'-P energy: -41.516
bonds (distance) P-C4' energy: -53.900
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -36.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -465.603003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.603003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.603003 (E_RNA)
where:
Base-Base interactions energy: -284.129
where: short stacking energy: -140.740
Base-Backbone interact. energy: 0.352
local terms energy: -181.825671
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -45.896
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -25.250
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -373.497835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.497835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.497835 (E_RNA)
where:
Base-Base interactions energy: -205.340
where: short stacking energy: -112.398
Base-Backbone interact. energy: -0.854
local terms energy: -167.303811
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -42.825
flat angles C4'-P-C4' energy: -49.640
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1006.421102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.421102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.421102 (E_RNA)
where:
Base-Base interactions energy: -690.125
where: short stacking energy: -308.784
Base-Backbone interact. energy: -1.164
local terms energy: -315.132123
where:
bonds (distance) C4'-P energy: -59.920
bonds (distance) P-C4' energy: -51.972
flat angles C4'-P-C4' energy: -60.950
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -96.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -933.937719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.937719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.937719 (E_RNA)
where:
Base-Base interactions energy: -632.873
where: short stacking energy: -278.010
Base-Backbone interact. energy: 1.201
local terms energy: -302.265170
where:
bonds (distance) C4'-P energy: -54.771
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -82.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -943.766366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.766366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.766366 (E_RNA)
where:
Base-Base interactions energy: -659.292
where: short stacking energy: -266.240
Base-Backbone interact. energy: -0.087
local terms energy: -284.387672
where:
bonds (distance) C4'-P energy: -61.204
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -54.291
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -74.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -891.115051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.115051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.115051 (E_RNA)
where:
Base-Base interactions energy: -606.980
where: short stacking energy: -267.561
Base-Backbone interact. energy: -1.730
local terms energy: -282.405348
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -56.650
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -73.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -820.315850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.315850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.315850 (E_RNA)
where:
Base-Base interactions energy: -548.131
where: short stacking energy: -246.674
Base-Backbone interact. energy: -0.950
local terms energy: -271.234811
where:
bonds (distance) C4'-P energy: -51.490
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -62.223
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -74.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -721.820414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.820414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.820414 (E_RNA)
where:
Base-Base interactions energy: -475.343
where: short stacking energy: -213.756
Base-Backbone interact. energy: 0.837
local terms energy: -247.314916
where:
bonds (distance) C4'-P energy: -59.462
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -37.521
tors. eta vs tors. theta energy: -57.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -645.129463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.129463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.129463 (E_RNA)
where:
Base-Base interactions energy: -424.059
where: short stacking energy: -178.763
Base-Backbone interact. energy: -1.854
local terms energy: -219.217004
where:
bonds (distance) C4'-P energy: -37.174
bonds (distance) P-C4' energy: -60.768
flat angles C4'-P-C4' energy: -51.508
flat angles P-C4'-P energy: -32.907
tors. eta vs tors. theta energy: -36.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -507.172187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.172187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.172187 (E_RNA)
where:
Base-Base interactions energy: -296.621
where: short stacking energy: -160.301
Base-Backbone interact. energy: -0.440
local terms energy: -210.110683
where:
bonds (distance) C4'-P energy: -45.716
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -53.519
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -39.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -566.361696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.361696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.361696 (E_RNA)
where:
Base-Base interactions energy: -378.340
where: short stacking energy: -165.823
Base-Backbone interact. energy: -1.304
local terms energy: -186.718274
where:
bonds (distance) C4'-P energy: -44.833
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -43.263
flat angles P-C4'-P energy: -23.506
tors. eta vs tors. theta energy: -33.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -396.571619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.571619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.571619 (E_RNA)
where:
Base-Base interactions energy: -230.388
where: short stacking energy: -123.065
Base-Backbone interact. energy: -0.536
local terms energy: -165.647833
where:
bonds (distance) C4'-P energy: -44.922
bonds (distance) P-C4' energy: -35.360
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -994.000804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.000804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.000804 (E_RNA)
where:
Base-Base interactions energy: -669.123
where: short stacking energy: -302.835
Base-Backbone interact. energy: -0.946
local terms energy: -323.932136
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -54.226
flat angles C4'-P-C4' energy: -66.264
flat angles P-C4'-P energy: -48.106
tors. eta vs tors. theta energy: -101.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -944.388945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.388945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.388945 (E_RNA)
where:
Base-Base interactions energy: -635.599
where: short stacking energy: -267.479
Base-Backbone interact. energy: 2.633
local terms energy: -311.423541
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -59.088
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -84.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -955.811257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.811257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.811257 (E_RNA)
where:
Base-Base interactions energy: -667.220
where: short stacking energy: -268.532
Base-Backbone interact. energy: -0.695
local terms energy: -287.896317
where:
bonds (distance) C4'-P energy: -54.015
bonds (distance) P-C4' energy: -53.860
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -894.115495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.115495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.115495 (E_RNA)
where:
Base-Base interactions energy: -608.965
where: short stacking energy: -266.247
Base-Backbone interact. energy: -1.110
local terms energy: -284.040488
where:
bonds (distance) C4'-P energy: -53.868
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -65.078
flat angles P-C4'-P energy: -38.341
tors. eta vs tors. theta energy: -69.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -795.640755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.640755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.640755 (E_RNA)
where:
Base-Base interactions energy: -515.410
where: short stacking energy: -237.791
Base-Backbone interact. energy: -1.463
local terms energy: -278.767019
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -45.904
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -74.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -696.806054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.806054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.806054 (E_RNA)
where:
Base-Base interactions energy: -454.576
where: short stacking energy: -199.538
Base-Backbone interact. energy: -0.783
local terms energy: -241.447486
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -52.818
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -50.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -673.921017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.921017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.921017 (E_RNA)
where:
Base-Base interactions energy: -452.113
where: short stacking energy: -202.668
Base-Backbone interact. energy: -0.571
local terms energy: -221.236466
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -46.558
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -34.814
tors. eta vs tors. theta energy: -51.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -501.386371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.386371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.386371 (E_RNA)
where:
Base-Base interactions energy: -283.473
where: short stacking energy: -157.144
Base-Backbone interact. energy: 0.097
local terms energy: -218.010729
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -49.910
flat angles C4'-P-C4' energy: -40.587
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -38.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -567.009982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.009982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.009982 (E_RNA)
where:
Base-Base interactions energy: -350.456
where: short stacking energy: -164.346
Base-Backbone interact. energy: -1.646
local terms energy: -214.907548
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -48.120
flat angles C4'-P-C4' energy: -59.491
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -30.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -370.348906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.348906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.348906 (E_RNA)
where:
Base-Base interactions energy: -197.691
where: short stacking energy: -111.770
Base-Backbone interact. energy: 2.336
local terms energy: -174.993510
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -36.869
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1007.905273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.905273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.905273 (E_RNA)
where:
Base-Base interactions energy: -695.846
where: short stacking energy: -312.911
Base-Backbone interact. energy: -0.025
local terms energy: -312.034222
where:
bonds (distance) C4'-P energy: -54.527
bonds (distance) P-C4' energy: -56.915
flat angles C4'-P-C4' energy: -64.415
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -95.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -969.572978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.572978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.572978 (E_RNA)
where:
Base-Base interactions energy: -670.091
where: short stacking energy: -277.819
Base-Backbone interact. energy: -2.238
local terms energy: -297.243908
where:
bonds (distance) C4'-P energy: -59.691
bonds (distance) P-C4' energy: -60.239
flat angles C4'-P-C4' energy: -62.593
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -72.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -933.196684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.196684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.196684 (E_RNA)
where:
Base-Base interactions energy: -645.706
where: short stacking energy: -287.501
Base-Backbone interact. energy: 0.162
local terms energy: -287.652304
where:
bonds (distance) C4'-P energy: -50.162
bonds (distance) P-C4' energy: -53.245
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -84.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -879.987855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.987855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.987855 (E_RNA)
where:
Base-Base interactions energy: -592.982
where: short stacking energy: -251.308
Base-Backbone interact. energy: -1.367
local terms energy: -285.638981
where:
bonds (distance) C4'-P energy: -55.193
bonds (distance) P-C4' energy: -52.885
flat angles C4'-P-C4' energy: -54.985
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -78.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -798.332129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.332129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.332129 (E_RNA)
where:
Base-Base interactions energy: -527.381
where: short stacking energy: -252.269
Base-Backbone interact. energy: -0.524
local terms energy: -270.426812
where:
bonds (distance) C4'-P energy: -46.853
bonds (distance) P-C4' energy: -59.753
flat angles C4'-P-C4' energy: -56.168
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -66.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -757.116784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.116784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.116784 (E_RNA)
where:
Base-Base interactions energy: -492.744
where: short stacking energy: -230.921
Base-Backbone interact. energy: -1.545
local terms energy: -262.828251
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -53.663
flat angles C4'-P-C4' energy: -58.955
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: -58.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -625.994155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.994155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.994155 (E_RNA)
where:
Base-Base interactions energy: -388.086
where: short stacking energy: -183.000
Base-Backbone interact. energy: -2.011
local terms energy: -235.896871
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -55.285
flat angles C4'-P-C4' energy: -43.706
flat angles P-C4'-P energy: -37.712
tors. eta vs tors. theta energy: -48.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -566.808840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.808840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.808840 (E_RNA)
where:
Base-Base interactions energy: -351.053
where: short stacking energy: -176.933
Base-Backbone interact. energy: -0.528
local terms energy: -215.228042
where:
bonds (distance) C4'-P energy: -50.039
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -46.975
flat angles P-C4'-P energy: -29.878
tors. eta vs tors. theta energy: -40.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -509.709698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.709698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.709698 (E_RNA)
where:
Base-Base interactions energy: -296.940
where: short stacking energy: -158.708
Base-Backbone interact. energy: 0.901
local terms energy: -213.670635
where:
bonds (distance) C4'-P energy: -48.591
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -48.943
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -48.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -375.696215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.696215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.696215 (E_RNA)
where:
Base-Base interactions energy: -209.038
where: short stacking energy: -120.861
Base-Backbone interact. energy: -0.677
local terms energy: -165.981150
where:
bonds (distance) C4'-P energy: -33.663
bonds (distance) P-C4' energy: -48.067
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -30.477
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -989.680234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.680234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.680234 (E_RNA)
where:
Base-Base interactions energy: -688.013
where: short stacking energy: -280.467
Base-Backbone interact. energy: -1.731
local terms energy: -299.936401
where:
bonds (distance) C4'-P energy: -53.877
bonds (distance) P-C4' energy: -54.384
flat angles C4'-P-C4' energy: -65.697
flat angles P-C4'-P energy: -43.606
tors. eta vs tors. theta energy: -82.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -994.846486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.846486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.846486 (E_RNA)
where:
Base-Base interactions energy: -684.647
where: short stacking energy: -302.272
Base-Backbone interact. energy: -0.796
local terms energy: -309.403025
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -54.578
flat angles C4'-P-C4' energy: -68.347
flat angles P-C4'-P energy: -46.612
tors. eta vs tors. theta energy: -95.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -903.219168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.219168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.219168 (E_RNA)
where:
Base-Base interactions energy: -618.130
where: short stacking energy: -261.308
Base-Backbone interact. energy: -1.317
local terms energy: -283.772050
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -65.417
flat angles P-C4'-P energy: -34.401
tors. eta vs tors. theta energy: -73.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -871.459526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.459526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.459526 (E_RNA)
where:
Base-Base interactions energy: -605.113
where: short stacking energy: -254.938
Base-Backbone interact. energy: 1.371
local terms energy: -267.717484
where:
bonds (distance) C4'-P energy: -50.396
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -58.919
flat angles P-C4'-P energy: -39.442
tors. eta vs tors. theta energy: -67.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -817.944800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.944800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.944800 (E_RNA)
where:
Base-Base interactions energy: -542.803
where: short stacking energy: -255.631
Base-Backbone interact. energy: -2.187
local terms energy: -272.955017
where:
bonds (distance) C4'-P energy: -50.739
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: -76.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -735.132818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.132818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.132818 (E_RNA)
where:
Base-Base interactions energy: -467.944
where: short stacking energy: -222.595
Base-Backbone interact. energy: -2.141
local terms energy: -265.047539
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -58.860
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -60.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -604.947375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.947375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.947375 (E_RNA)
where:
Base-Base interactions energy: -375.944
where: short stacking energy: -180.692
Base-Backbone interact. energy: -1.401
local terms energy: -227.602763
where:
bonds (distance) C4'-P energy: -50.597
bonds (distance) P-C4' energy: -53.715
flat angles C4'-P-C4' energy: -55.493
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -29.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -566.112560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.112560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.112560 (E_RNA)
where:
Base-Base interactions energy: -339.048
where: short stacking energy: -149.153
Base-Backbone interact. energy: 1.056
local terms energy: -228.120175
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -54.366
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -29.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -500.286970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.286970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.286970 (E_RNA)
where:
Base-Base interactions energy: -302.606
where: short stacking energy: -132.103
Base-Backbone interact. energy: 2.843
local terms energy: -200.523492
where:
bonds (distance) C4'-P energy: -50.619
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -46.546
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -354.400975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.400975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.400975 (E_RNA)
where:
Base-Base interactions energy: -178.355
where: short stacking energy: -95.713
Base-Backbone interact. energy: 2.163
local terms energy: -178.208599
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -48.943
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -36.280
tors. eta vs tors. theta energy: -6.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -998.629087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.629087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.629087 (E_RNA)
where:
Base-Base interactions energy: -693.141
where: short stacking energy: -293.012
Base-Backbone interact. energy: -0.888
local terms energy: -304.600153
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -61.630
flat angles C4'-P-C4' energy: -62.371
flat angles P-C4'-P energy: -49.873
tors. eta vs tors. theta energy: -82.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -986.160334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.160334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.160334 (E_RNA)
where:
Base-Base interactions energy: -668.134
where: short stacking energy: -291.070
Base-Backbone interact. energy: -0.098
local terms energy: -317.927868
where:
bonds (distance) C4'-P energy: -52.543
bonds (distance) P-C4' energy: -59.388
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -44.705
tors. eta vs tors. theta energy: -95.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -902.142649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.142649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.142649 (E_RNA)
where:
Base-Base interactions energy: -615.579
where: short stacking energy: -243.778
Base-Backbone interact. energy: -2.687
local terms energy: -283.876092
where:
bonds (distance) C4'-P energy: -51.347
bonds (distance) P-C4' energy: -51.963
flat angles C4'-P-C4' energy: -63.982
flat angles P-C4'-P energy: -46.209
tors. eta vs tors. theta energy: -70.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -899.617860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.617860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.617860 (E_RNA)
where:
Base-Base interactions energy: -621.930
where: short stacking energy: -258.049
Base-Backbone interact. energy: -3.140
local terms energy: -274.547784
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -52.320
flat angles C4'-P-C4' energy: -59.174
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -72.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -785.258314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.258314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.258314 (E_RNA)
where:
Base-Base interactions energy: -535.241
where: short stacking energy: -226.345
Base-Backbone interact. energy: -0.220
local terms energy: -249.796748
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -54.319
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -72.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -724.695519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.695519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.695519 (E_RNA)
where:
Base-Base interactions energy: -479.447
where: short stacking energy: -224.535
Base-Backbone interact. energy: -1.809
local terms energy: -243.438963
where:
bonds (distance) C4'-P energy: -36.525
bonds (distance) P-C4' energy: -51.693
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -63.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -588.029111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.029111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.029111 (E_RNA)
where:
Base-Base interactions energy: -361.046
where: short stacking energy: -173.031
Base-Backbone interact. energy: -0.727
local terms energy: -226.255332
where:
bonds (distance) C4'-P energy: -46.740
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -35.813
tors. eta vs tors. theta energy: -37.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -550.406508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.406508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.406508 (E_RNA)
where:
Base-Base interactions energy: -325.478
where: short stacking energy: -154.819
Base-Backbone interact. energy: -0.409
local terms energy: -224.518735
where:
bonds (distance) C4'-P energy: -50.630
bonds (distance) P-C4' energy: -52.427
flat angles C4'-P-C4' energy: -49.241
flat angles P-C4'-P energy: -38.092
tors. eta vs tors. theta energy: -34.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -533.979888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.979888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.979888 (E_RNA)
where:
Base-Base interactions energy: -339.340
where: short stacking energy: -160.091
Base-Backbone interact. energy: 2.332
local terms energy: -196.972318
where:
bonds (distance) C4'-P energy: -35.859
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -50.359
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -36.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -336.147841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.147841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.147841 (E_RNA)
where:
Base-Base interactions energy: -181.602
where: short stacking energy: -100.125
Base-Backbone interact. energy: -0.009
local terms energy: -154.537593
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -45.850
flat angles C4'-P-C4' energy: -45.789
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -987.643937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.643937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.643937 (E_RNA)
where:
Base-Base interactions energy: -688.106
where: short stacking energy: -276.764
Base-Backbone interact. energy: -3.723
local terms energy: -295.815116
where:
bonds (distance) C4'-P energy: -54.801
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -83.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -981.608013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.608013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.608013 (E_RNA)
where:
Base-Base interactions energy: -667.954
where: short stacking energy: -296.265
Base-Backbone interact. energy: -0.601
local terms energy: -313.052818
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -43.212
tors. eta vs tors. theta energy: -93.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -918.313608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.313608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.313608 (E_RNA)
where:
Base-Base interactions energy: -636.500
where: short stacking energy: -274.623
Base-Backbone interact. energy: 3.758
local terms energy: -285.571083
where:
bonds (distance) C4'-P energy: -59.398
bonds (distance) P-C4' energy: -55.070
flat angles C4'-P-C4' energy: -59.500
flat angles P-C4'-P energy: -34.114
tors. eta vs tors. theta energy: -77.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -884.238667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.238667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.238667 (E_RNA)
where:
Base-Base interactions energy: -600.974
where: short stacking energy: -264.303
Base-Backbone interact. energy: -0.209
local terms energy: -283.055611
where:
bonds (distance) C4'-P energy: -50.729
bonds (distance) P-C4' energy: -57.582
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -76.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -811.425508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.425508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.425508 (E_RNA)
where:
Base-Base interactions energy: -554.080
where: short stacking energy: -259.975
Base-Backbone interact. energy: -1.256
local terms energy: -256.089534
where:
bonds (distance) C4'-P energy: -39.165
bonds (distance) P-C4' energy: -58.138
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -30.104
tors. eta vs tors. theta energy: -72.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -750.135811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.135811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.135811 (E_RNA)
where:
Base-Base interactions energy: -497.089
where: short stacking energy: -229.455
Base-Backbone interact. energy: -1.180
local terms energy: -251.866909
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -43.882
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -45.150
tors. eta vs tors. theta energy: -59.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -519.775281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.775281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.775281 (E_RNA)
where:
Base-Base interactions energy: -315.809
where: short stacking energy: -163.573
Base-Backbone interact. energy: 0.470
local terms energy: -204.436127
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -34.896
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -561.468678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.468678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.468678 (E_RNA)
where:
Base-Base interactions energy: -377.656
where: short stacking energy: -160.977
Base-Backbone interact. energy: 4.604
local terms energy: -188.416383
where:
bonds (distance) C4'-P energy: -45.490
bonds (distance) P-C4' energy: -49.385
flat angles C4'-P-C4' energy: -41.147
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -28.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -528.394135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.394135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.394135 (E_RNA)
where:
Base-Base interactions energy: -330.527
where: short stacking energy: -141.648
Base-Backbone interact. energy: 2.471
local terms energy: -200.338187
where:
bonds (distance) C4'-P energy: -44.527
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -53.589
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: -31.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -337.700762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.700762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.700762 (E_RNA)
where:
Base-Base interactions energy: -177.868
where: short stacking energy: -103.527
Base-Backbone interact. energy: 7.149
local terms energy: -166.982290
where:
bonds (distance) C4'-P energy: -40.784
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -989.579088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.579088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.579088 (E_RNA)
where:
Base-Base interactions energy: -700.536
where: short stacking energy: -292.749
Base-Backbone interact. energy: 0.267
local terms energy: -289.310170
where:
bonds (distance) C4'-P energy: -51.744
bonds (distance) P-C4' energy: -54.553
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -80.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -964.199705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.199705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.199705 (E_RNA)
where:
Base-Base interactions energy: -660.549
where: short stacking energy: -302.811
Base-Backbone interact. energy: -0.679
local terms energy: -302.971773
where:
bonds (distance) C4'-P energy: -60.072
bonds (distance) P-C4' energy: -56.927
flat angles C4'-P-C4' energy: -59.875
flat angles P-C4'-P energy: -32.765
tors. eta vs tors. theta energy: -93.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -908.339866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.339866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.339866 (E_RNA)
where:
Base-Base interactions energy: -622.055
where: short stacking energy: -254.085
Base-Backbone interact. energy: -1.558
local terms energy: -284.726523
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -67.195
flat angles P-C4'-P energy: -44.344
tors. eta vs tors. theta energy: -78.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -860.731230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.731230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.731230 (E_RNA)
where:
Base-Base interactions energy: -563.866
where: short stacking energy: -243.899
Base-Backbone interact. energy: 0.768
local terms energy: -297.632883
where:
bonds (distance) C4'-P energy: -54.891
bonds (distance) P-C4' energy: -58.018
flat angles C4'-P-C4' energy: -64.927
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -77.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -810.292319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.292319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.292319 (E_RNA)
where:
Base-Base interactions energy: -528.037
where: short stacking energy: -253.637
Base-Backbone interact. energy: -2.639
local terms energy: -279.616222
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -58.814
flat angles P-C4'-P energy: -34.625
tors. eta vs tors. theta energy: -72.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -753.939734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.939734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.939734 (E_RNA)
where:
Base-Base interactions energy: -493.751
where: short stacking energy: -232.129
Base-Backbone interact. energy: -0.719
local terms energy: -259.469039
where:
bonds (distance) C4'-P energy: -55.173
bonds (distance) P-C4' energy: -53.138
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -59.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -538.026123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.026123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.026123 (E_RNA)
where:
Base-Base interactions energy: -320.101
where: short stacking energy: -165.105
Base-Backbone interact. energy: -1.615
local terms energy: -216.309539
where:
bonds (distance) C4'-P energy: -54.771
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: -37.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -589.343240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.343240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.343240 (E_RNA)
where:
Base-Base interactions energy: -362.664
where: short stacking energy: -164.176
Base-Backbone interact. energy: 1.194
local terms energy: -227.873339
where:
bonds (distance) C4'-P energy: -57.312
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -43.386
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -46.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -490.408595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.408595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.408595 (E_RNA)
where:
Base-Base interactions energy: -295.213
where: short stacking energy: -142.536
Base-Backbone interact. energy: -3.332
local terms energy: -191.863079
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -49.456
flat angles C4'-P-C4' energy: -48.998
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -26.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -306.549717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.549717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.549717 (E_RNA)
where:
Base-Base interactions energy: -154.983
where: short stacking energy: -78.041
Base-Backbone interact. energy: -0.721
local terms energy: -150.845272
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -39.559
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -980.166333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.166333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.166333 (E_RNA)
where:
Base-Base interactions energy: -671.239
where: short stacking energy: -302.494
Base-Backbone interact. energy: 0.532
local terms energy: -309.459859
where:
bonds (distance) C4'-P energy: -60.269
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -66.849
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -92.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -982.377462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.377462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.377462 (E_RNA)
where:
Base-Base interactions energy: -692.886
where: short stacking energy: -288.003
Base-Backbone interact. energy: -0.952
local terms energy: -288.540026
where:
bonds (distance) C4'-P energy: -55.710
bonds (distance) P-C4' energy: -53.633
flat angles C4'-P-C4' energy: -56.772
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -80.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -891.915942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.915942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.915942 (E_RNA)
where:
Base-Base interactions energy: -599.792
where: short stacking energy: -274.873
Base-Backbone interact. energy: -0.115
local terms energy: -292.009661
where:
bonds (distance) C4'-P energy: -57.703
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -61.333
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -78.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -886.158805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.158805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.158805 (E_RNA)
where:
Base-Base interactions energy: -615.041
where: short stacking energy: -263.504
Base-Backbone interact. energy: 0.610
local terms energy: -271.728271
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -73.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -823.151253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.151253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.151253 (E_RNA)
where:
Base-Base interactions energy: -544.380
where: short stacking energy: -254.371
Base-Backbone interact. energy: -0.491
local terms energy: -278.280252
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -54.233
flat angles C4'-P-C4' energy: -62.662
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -70.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -701.551396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.551396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.551396 (E_RNA)
where:
Base-Base interactions energy: -434.049
where: short stacking energy: -200.613
Base-Backbone interact. energy: -1.818
local terms energy: -265.684532
where:
bonds (distance) C4'-P energy: -55.185
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -50.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -580.884493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.884493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.884493 (E_RNA)
where:
Base-Base interactions energy: -358.907
where: short stacking energy: -172.557
Base-Backbone interact. energy: -1.510
local terms energy: -220.467159
where:
bonds (distance) C4'-P energy: -41.580
bonds (distance) P-C4' energy: -48.744
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -39.166
tors. eta vs tors. theta energy: -45.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -505.578059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.578059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.578059 (E_RNA)
where:
Base-Base interactions energy: -311.810
where: short stacking energy: -155.261
Base-Backbone interact. energy: -1.504
local terms energy: -192.263924
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -48.014
flat angles P-C4'-P energy: -19.381
tors. eta vs tors. theta energy: -31.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -448.032901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.032901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.032901 (E_RNA)
where:
Base-Base interactions energy: -279.144
where: short stacking energy: -135.966
Base-Backbone interact. energy: -2.927
local terms energy: -165.962403
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -42.320
flat angles C4'-P-C4' energy: -41.709
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -319.852018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.852018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.852018 (E_RNA)
where:
Base-Base interactions energy: -154.494
where: short stacking energy: -97.134
Base-Backbone interact. energy: -1.371
local terms energy: -163.987156
where:
bonds (distance) C4'-P energy: -31.994
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -40.955
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -990.702496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.702496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.702496 (E_RNA)
where:
Base-Base interactions energy: -675.169
where: short stacking energy: -296.529
Base-Backbone interact. energy: -0.202
local terms energy: -315.330946
where:
bonds (distance) C4'-P energy: -58.729
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -97.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -899.915511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.915511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.915511 (E_RNA)
where:
Base-Base interactions energy: -614.906
where: short stacking energy: -281.846
Base-Backbone interact. energy: -0.715
local terms energy: -284.294692
where:
bonds (distance) C4'-P energy: -53.955
bonds (distance) P-C4' energy: -46.513
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -78.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -939.214482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.214482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.214482 (E_RNA)
where:
Base-Base interactions energy: -651.227
where: short stacking energy: -265.136
Base-Backbone interact. energy: -1.868
local terms energy: -286.119055
where:
bonds (distance) C4'-P energy: -45.333
bonds (distance) P-C4' energy: -57.929
flat angles C4'-P-C4' energy: -63.627
flat angles P-C4'-P energy: -45.583
tors. eta vs tors. theta energy: -73.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -897.276004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.276004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.276004 (E_RNA)
where:
Base-Base interactions energy: -608.304
where: short stacking energy: -251.994
Base-Backbone interact. energy: 1.400
local terms energy: -290.371979
where:
bonds (distance) C4'-P energy: -50.342
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -65.010
flat angles P-C4'-P energy: -46.051
tors. eta vs tors. theta energy: -76.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -825.634466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.634466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.634466 (E_RNA)
where:
Base-Base interactions energy: -566.866
where: short stacking energy: -263.507
Base-Backbone interact. energy: -1.607
local terms energy: -257.161845
where:
bonds (distance) C4'-P energy: -49.814
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -57.137
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -76.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -743.977229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.977229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.977229 (E_RNA)
where:
Base-Base interactions energy: -483.762
where: short stacking energy: -213.679
Base-Backbone interact. energy: -1.689
local terms energy: -258.526296
where:
bonds (distance) C4'-P energy: -43.817
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -62.829
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: -64.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -619.910403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.910403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.910403 (E_RNA)
where:
Base-Base interactions energy: -378.916
where: short stacking energy: -163.982
Base-Backbone interact. energy: -1.544
local terms energy: -239.450814
where:
bonds (distance) C4'-P energy: -50.341
bonds (distance) P-C4' energy: -55.278
flat angles C4'-P-C4' energy: -56.825
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -40.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -507.194494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.194494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.194494 (E_RNA)
where:
Base-Base interactions energy: -302.765
where: short stacking energy: -152.354
Base-Backbone interact. energy: 1.466
local terms energy: -205.895439
where:
bonds (distance) C4'-P energy: -49.623
bonds (distance) P-C4' energy: -56.131
flat angles C4'-P-C4' energy: -44.033
flat angles P-C4'-P energy: -21.950
tors. eta vs tors. theta energy: -34.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -438.234595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.234595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.234595 (E_RNA)
where:
Base-Base interactions energy: -252.504
where: short stacking energy: -117.085
Base-Backbone interact. energy: -0.162
local terms energy: -185.568539
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -53.614
flat angles P-C4'-P energy: -26.131
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -310.074163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.074163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.074163 (E_RNA)
where:
Base-Base interactions energy: -137.799
where: short stacking energy: -82.486
Base-Backbone interact. energy: -1.647
local terms energy: -170.628597
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -60.862
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -10.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -995.667019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.667019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.667019 (E_RNA)
where:
Base-Base interactions energy: -683.733
where: short stacking energy: -307.728
Base-Backbone interact. energy: 0.295
local terms energy: -312.228836
where:
bonds (distance) C4'-P energy: -57.562
bonds (distance) P-C4' energy: -54.737
flat angles C4'-P-C4' energy: -61.221
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -95.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -915.890137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.890137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.890137 (E_RNA)
where:
Base-Base interactions energy: -612.549
where: short stacking energy: -265.656
Base-Backbone interact. energy: -0.053
local terms energy: -303.288755
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -60.605
flat angles C4'-P-C4' energy: -66.564
flat angles P-C4'-P energy: -36.181
tors. eta vs tors. theta energy: -81.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -940.764635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.764635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.764635 (E_RNA)
where:
Base-Base interactions energy: -661.325
where: short stacking energy: -276.719
Base-Backbone interact. energy: -1.135
local terms energy: -278.305489
where:
bonds (distance) C4'-P energy: -51.747
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -57.154
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -74.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -899.709587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.709587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.709587 (E_RNA)
where:
Base-Base interactions energy: -609.877
where: short stacking energy: -247.573
Base-Backbone interact. energy: -1.974
local terms energy: -287.858388
where:
bonds (distance) C4'-P energy: -56.798
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -75.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -840.304418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.304418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.304418 (E_RNA)
where:
Base-Base interactions energy: -569.306
where: short stacking energy: -255.500
Base-Backbone interact. energy: -0.102
local terms energy: -270.895915
where:
bonds (distance) C4'-P energy: -57.487
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -64.582
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -74.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -766.556653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.556653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.556653 (E_RNA)
where:
Base-Base interactions energy: -520.320
where: short stacking energy: -232.056
Base-Backbone interact. energy: -1.791
local terms energy: -244.445276
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -40.759
flat angles C4'-P-C4' energy: -67.826
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -59.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -644.452184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.452184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.452184 (E_RNA)
where:
Base-Base interactions energy: -414.924
where: short stacking energy: -192.217
Base-Backbone interact. energy: 1.301
local terms energy: -230.829396
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -42.638
flat angles C4'-P-C4' energy: -49.250
flat angles P-C4'-P energy: -36.199
tors. eta vs tors. theta energy: -48.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -548.251777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.251777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.251777 (E_RNA)
where:
Base-Base interactions energy: -345.520
where: short stacking energy: -156.547
Base-Backbone interact. energy: -1.064
local terms energy: -201.667447
where:
bonds (distance) C4'-P energy: -47.268
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -47.100
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: -34.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -437.297605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.297605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.297605 (E_RNA)
where:
Base-Base interactions energy: -256.549
where: short stacking energy: -122.552
Base-Backbone interact. energy: -0.669
local terms energy: -180.080407
where:
bonds (distance) C4'-P energy: -49.100
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -42.876
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -15.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -333.986541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.986541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.986541 (E_RNA)
where:
Base-Base interactions energy: -172.036
where: short stacking energy: -95.871
Base-Backbone interact. energy: -1.303
local terms energy: -160.647390
where:
bonds (distance) C4'-P energy: -40.571
bonds (distance) P-C4' energy: -44.189
flat angles C4'-P-C4' energy: -53.129
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -990.193490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.193490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.193490 (E_RNA)
where:
Base-Base interactions energy: -658.256
where: short stacking energy: -294.738
Base-Backbone interact. energy: -0.156
local terms energy: -331.781234
where:
bonds (distance) C4'-P energy: -63.528
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -99.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -943.361468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.361468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.361468 (E_RNA)
where:
Base-Base interactions energy: -646.470
where: short stacking energy: -286.102
Base-Backbone interact. energy: -0.822
local terms energy: -296.069288
where:
bonds (distance) C4'-P energy: -47.540
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -78.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -870.749524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.749524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.749524 (E_RNA)
where:
Base-Base interactions energy: -588.027
where: short stacking energy: -264.686
Base-Backbone interact. energy: -0.823
local terms energy: -281.899770
where:
bonds (distance) C4'-P energy: -51.979
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -54.833
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -80.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -891.392595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.392595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.392595 (E_RNA)
where:
Base-Base interactions energy: -606.348
where: short stacking energy: -240.849
Base-Backbone interact. energy: -1.254
local terms energy: -283.789956
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -50.382
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -45.384
tors. eta vs tors. theta energy: -76.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -833.284618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.284618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.284618 (E_RNA)
where:
Base-Base interactions energy: -559.730
where: short stacking energy: -265.868
Base-Backbone interact. energy: -0.968
local terms energy: -272.586963
where:
bonds (distance) C4'-P energy: -55.312
bonds (distance) P-C4' energy: -46.140
flat angles C4'-P-C4' energy: -53.762
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: -79.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -729.952391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.952391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.952391 (E_RNA)
where:
Base-Base interactions energy: -486.081
where: short stacking energy: -221.131
Base-Backbone interact. energy: 1.235
local terms energy: -245.105996
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -51.120
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -54.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -667.946020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.946020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.946020 (E_RNA)
where:
Base-Base interactions energy: -442.804
where: short stacking energy: -208.349
Base-Backbone interact. energy: -0.175
local terms energy: -224.967128
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -47.364
flat angles C4'-P-C4' energy: -53.713
flat angles P-C4'-P energy: -36.373
tors. eta vs tors. theta energy: -42.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -591.428972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.428972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.428972 (E_RNA)
where:
Base-Base interactions energy: -378.214
where: short stacking energy: -200.344
Base-Backbone interact. energy: -0.728
local terms energy: -212.486263
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -50.070
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -34.653
tors. eta vs tors. theta energy: -36.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -487.426126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.426126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.426126 (E_RNA)
where:
Base-Base interactions energy: -288.290
where: short stacking energy: -149.020
Base-Backbone interact. energy: -2.411
local terms energy: -196.724722
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -53.664
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -350.930751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.930751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.930751 (E_RNA)
where:
Base-Base interactions energy: -181.514
where: short stacking energy: -98.082
Base-Backbone interact. energy: -1.320
local terms energy: -168.096608
where:
bonds (distance) C4'-P energy: -55.043
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -39.974
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -997.011323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.011323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.011323 (E_RNA)
where:
Base-Base interactions energy: -678.443
where: short stacking energy: -314.471
Base-Backbone interact. energy: 1.367
local terms energy: -319.935461
where:
bonds (distance) C4'-P energy: -60.714
bonds (distance) P-C4' energy: -54.507
flat angles C4'-P-C4' energy: -63.637
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -96.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -943.993794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.993794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.993794 (E_RNA)
where:
Base-Base interactions energy: -652.146
where: short stacking energy: -272.472
Base-Backbone interact. energy: 2.908
local terms energy: -294.756179
where:
bonds (distance) C4'-P energy: -46.279
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -65.659
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -75.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -902.116892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.116892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.116892 (E_RNA)
where:
Base-Base interactions energy: -627.405
where: short stacking energy: -258.590
Base-Backbone interact. energy: -3.129
local terms energy: -271.582226
where:
bonds (distance) C4'-P energy: -44.968
bonds (distance) P-C4' energy: -53.788
flat angles C4'-P-C4' energy: -51.638
flat angles P-C4'-P energy: -39.263
tors. eta vs tors. theta energy: -81.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -849.178315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.178315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.178315 (E_RNA)
where:
Base-Base interactions energy: -574.251
where: short stacking energy: -245.881
Base-Backbone interact. energy: 0.531
local terms energy: -275.458290
where:
bonds (distance) C4'-P energy: -45.372
bonds (distance) P-C4' energy: -53.678
flat angles C4'-P-C4' energy: -60.611
flat angles P-C4'-P energy: -41.899
tors. eta vs tors. theta energy: -73.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -815.581084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.581084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.581084 (E_RNA)
where:
Base-Base interactions energy: -538.612
where: short stacking energy: -246.581
Base-Backbone interact. energy: -0.537
local terms energy: -276.431842
where:
bonds (distance) C4'-P energy: -57.293
bonds (distance) P-C4' energy: -50.985
flat angles C4'-P-C4' energy: -54.300
flat angles P-C4'-P energy: -43.802
tors. eta vs tors. theta energy: -70.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -751.712775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.712775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.712775 (E_RNA)
where:
Base-Base interactions energy: -503.066
where: short stacking energy: -224.270
Base-Backbone interact. energy: -0.565
local terms energy: -248.082040
where:
bonds (distance) C4'-P energy: -55.890
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -49.039
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: -53.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -665.219338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.219338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.219338 (E_RNA)
where:
Base-Base interactions energy: -427.517
where: short stacking energy: -208.531
Base-Backbone interact. energy: -1.273
local terms energy: -236.428947
where:
bonds (distance) C4'-P energy: -43.942
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -55.878
flat angles P-C4'-P energy: -35.919
tors. eta vs tors. theta energy: -47.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -597.733362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.733362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.733362 (E_RNA)
where:
Base-Base interactions energy: -371.242
where: short stacking energy: -172.961
Base-Backbone interact. energy: -0.988
local terms energy: -225.503192
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -38.605
flat angles C4'-P-C4' energy: -59.248
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -499.978210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.978210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.978210 (E_RNA)
where:
Base-Base interactions energy: -293.976
where: short stacking energy: -147.373
Base-Backbone interact. energy: -1.185
local terms energy: -204.817499
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -48.147
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -325.670996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.670996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.670996 (E_RNA)
where:
Base-Base interactions energy: -160.052
where: short stacking energy: -72.953
Base-Backbone interact. energy: 5.000
local terms energy: -170.618521
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -46.249
flat angles C4'-P-C4' energy: -50.834
flat angles P-C4'-P energy: -21.626
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1001.852595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.852595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.852595 (E_RNA)
where:
Base-Base interactions energy: -684.592
where: short stacking energy: -309.164
Base-Backbone interact. energy: -1.964
local terms energy: -315.296355
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -56.268
flat angles C4'-P-C4' energy: -67.419
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -96.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -940.991060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.991060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.991060 (E_RNA)
where:
Base-Base interactions energy: -658.883
where: short stacking energy: -285.184
Base-Backbone interact. energy: -1.063
local terms energy: -281.044568
where:
bonds (distance) C4'-P energy: -53.857
bonds (distance) P-C4' energy: -49.034
flat angles C4'-P-C4' energy: -64.408
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -73.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -903.293840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.293840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.293840 (E_RNA)
where:
Base-Base interactions energy: -616.883
where: short stacking energy: -266.629
Base-Backbone interact. energy: -2.619
local terms energy: -283.791926
where:
bonds (distance) C4'-P energy: -52.628
bonds (distance) P-C4' energy: -49.700
flat angles C4'-P-C4' energy: -66.144
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -75.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -850.593919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.593919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.593919 (E_RNA)
where:
Base-Base interactions energy: -571.163
where: short stacking energy: -258.495
Base-Backbone interact. energy: -1.216
local terms energy: -278.214686
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -53.789
flat angles C4'-P-C4' energy: -55.117
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -75.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -838.159500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.159500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.159500 (E_RNA)
where:
Base-Base interactions energy: -571.159
where: short stacking energy: -248.451
Base-Backbone interact. energy: 0.269
local terms energy: -267.269847
where:
bonds (distance) C4'-P energy: -43.536
bonds (distance) P-C4' energy: -49.812
flat angles C4'-P-C4' energy: -64.252
flat angles P-C4'-P energy: -37.150
tors. eta vs tors. theta energy: -72.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -723.217901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.217901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.217901 (E_RNA)
where:
Base-Base interactions energy: -485.668
where: short stacking energy: -214.943
Base-Backbone interact. energy: -0.134
local terms energy: -237.415521
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -57.020
flat angles P-C4'-P energy: -34.229
tors. eta vs tors. theta energy: -56.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -668.847610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.847610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.847610 (E_RNA)
where:
Base-Base interactions energy: -424.376
where: short stacking energy: -207.591
Base-Backbone interact. energy: -0.445
local terms energy: -244.026260
where:
bonds (distance) C4'-P energy: -51.033
bonds (distance) P-C4' energy: -54.522
flat angles C4'-P-C4' energy: -51.571
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: -51.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -587.531563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.531563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.531563 (E_RNA)
where:
Base-Base interactions energy: -368.326
where: short stacking energy: -169.886
Base-Backbone interact. energy: -0.946
local terms energy: -218.259061
where:
bonds (distance) C4'-P energy: -49.246
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -35.067
tors. eta vs tors. theta energy: -37.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -501.237712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.237712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.237712 (E_RNA)
where:
Base-Base interactions energy: -294.331
where: short stacking energy: -129.164
Base-Backbone interact. energy: -0.903
local terms energy: -206.003970
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -46.254
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -331.633105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.633105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.633105 (E_RNA)
where:
Base-Base interactions energy: -163.893
where: short stacking energy: -105.536
Base-Backbone interact. energy: -0.093
local terms energy: -167.647514
where:
bonds (distance) C4'-P energy: -34.997
bonds (distance) P-C4' energy: -56.149
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -996.212623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.212623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.212623 (E_RNA)
where:
Base-Base interactions energy: -683.171
where: short stacking energy: -314.286
Base-Backbone interact. energy: -0.831
local terms energy: -312.210459
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -60.690
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -102.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -975.245361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.245361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.245361 (E_RNA)
where:
Base-Base interactions energy: -680.249
where: short stacking energy: -277.144
Base-Backbone interact. energy: -0.178
local terms energy: -294.818729
where:
bonds (distance) C4'-P energy: -61.338
bonds (distance) P-C4' energy: -55.229
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -78.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -900.257706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.257706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.257706 (E_RNA)
where:
Base-Base interactions energy: -610.632
where: short stacking energy: -270.307
Base-Backbone interact. energy: -0.397
local terms energy: -289.228473
where:
bonds (distance) C4'-P energy: -54.282
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -56.486
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -82.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -848.600791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.600791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.600791 (E_RNA)
where:
Base-Base interactions energy: -569.941
where: short stacking energy: -249.289
Base-Backbone interact. energy: -1.501
local terms energy: -277.158208
where:
bonds (distance) C4'-P energy: -51.763
bonds (distance) P-C4' energy: -55.297
flat angles C4'-P-C4' energy: -57.245
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -73.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -832.821725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.821725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.821725 (E_RNA)
where:
Base-Base interactions energy: -583.192
where: short stacking energy: -239.161
Base-Backbone interact. energy: 0.124
local terms energy: -249.753789
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -51.974
flat angles C4'-P-C4' energy: -55.858
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -72.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -720.935382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.935382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.935382 (E_RNA)
where:
Base-Base interactions energy: -467.263
where: short stacking energy: -212.753
Base-Backbone interact. energy: -2.728
local terms energy: -250.944487
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -58.403
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -55.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -693.253082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.253082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.253082 (E_RNA)
where:
Base-Base interactions energy: -461.252
where: short stacking energy: -204.836
Base-Backbone interact. energy: -0.203
local terms energy: -231.797233
where:
bonds (distance) C4'-P energy: -45.507
bonds (distance) P-C4' energy: -40.689
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -50.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -576.895165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.895165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.895165 (E_RNA)
where:
Base-Base interactions energy: -367.362
where: short stacking energy: -196.407
Base-Backbone interact. energy: 5.193
local terms energy: -214.725260
where:
bonds (distance) C4'-P energy: -46.839
bonds (distance) P-C4' energy: -51.426
flat angles C4'-P-C4' energy: -51.566
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -34.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -528.565521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.565521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.565521 (E_RNA)
where:
Base-Base interactions energy: -313.938
where: short stacking energy: -155.395
Base-Backbone interact. energy: -0.639
local terms energy: -213.988362
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -327.305324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.305324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.305324 (E_RNA)
where:
Base-Base interactions energy: -160.351
where: short stacking energy: -101.150
Base-Backbone interact. energy: 2.612
local terms energy: -169.566804
where:
bonds (distance) C4'-P energy: -48.611
bonds (distance) P-C4' energy: -44.200
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1007.308747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.308747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.308747 (E_RNA)
where:
Base-Base interactions energy: -686.008
where: short stacking energy: -305.319
Base-Backbone interact. energy: 0.483
local terms energy: -321.784152
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -63.987
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -45.880
tors. eta vs tors. theta energy: -95.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -961.807026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.807026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.807026 (E_RNA)
where:
Base-Base interactions energy: -666.679
where: short stacking energy: -282.476
Base-Backbone interact. energy: -1.988
local terms energy: -293.140045
where:
bonds (distance) C4'-P energy: -57.938
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -45.598
tors. eta vs tors. theta energy: -75.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -918.657441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.657441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.657441 (E_RNA)
where:
Base-Base interactions energy: -632.975
where: short stacking energy: -267.558
Base-Backbone interact. energy: -0.247
local terms energy: -285.436069
where:
bonds (distance) C4'-P energy: -57.253
bonds (distance) P-C4' energy: -55.758
flat angles C4'-P-C4' energy: -60.330
flat angles P-C4'-P energy: -40.348
tors. eta vs tors. theta energy: -71.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -864.895700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.895700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.895700 (E_RNA)
where:
Base-Base interactions energy: -585.212
where: short stacking energy: -252.720
Base-Backbone interact. energy: -2.244
local terms energy: -277.439730
where:
bonds (distance) C4'-P energy: -58.129
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -76.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -859.637432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.637432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.637432 (E_RNA)
where:
Base-Base interactions energy: -576.041
where: short stacking energy: -266.054
Base-Backbone interact. energy: -1.697
local terms energy: -281.899801
where:
bonds (distance) C4'-P energy: -47.781
bonds (distance) P-C4' energy: -45.980
flat angles C4'-P-C4' energy: -63.371
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: -85.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -683.987769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.987769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.987769 (E_RNA)
where:
Base-Base interactions energy: -435.055
where: short stacking energy: -211.006
Base-Backbone interact. energy: -0.229
local terms energy: -248.704123
where:
bonds (distance) C4'-P energy: -40.911
bonds (distance) P-C4' energy: -61.047
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -50.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -716.831151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.831151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.831151 (E_RNA)
where:
Base-Base interactions energy: -478.123
where: short stacking energy: -211.138
Base-Backbone interact. energy: -0.831
local terms energy: -237.877206
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -48.594
flat angles C4'-P-C4' energy: -54.940
flat angles P-C4'-P energy: -37.864
tors. eta vs tors. theta energy: -56.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -489.741076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.741076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.741076 (E_RNA)
where:
Base-Base interactions energy: -286.703
where: short stacking energy: -146.752
Base-Backbone interact. energy: -0.656
local terms energy: -202.382775
where:
bonds (distance) C4'-P energy: -50.664
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -558.008883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.008883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.008883 (E_RNA)
where:
Base-Base interactions energy: -355.696
where: short stacking energy: -168.450
Base-Backbone interact. energy: -0.851
local terms energy: -201.462566
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -40.341
flat angles C4'-P-C4' energy: -52.161
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -32.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -321.303881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.303881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.303881 (E_RNA)
where:
Base-Base interactions energy: -149.247
where: short stacking energy: -86.948
Base-Backbone interact. energy: -1.057
local terms energy: -171.000063
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: 4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -993.507123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.507123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.507123 (E_RNA)
where:
Base-Base interactions energy: -687.617
where: short stacking energy: -304.491
Base-Backbone interact. energy: -0.720
local terms energy: -305.170685
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -58.557
flat angles C4'-P-C4' energy: -67.044
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -93.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -962.483905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.483905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.483905 (E_RNA)
where:
Base-Base interactions energy: -669.744
where: short stacking energy: -285.183
Base-Backbone interact. energy: -3.317
local terms energy: -289.422860
where:
bonds (distance) C4'-P energy: -52.153
bonds (distance) P-C4' energy: -55.339
flat angles C4'-P-C4' energy: -60.979
flat angles P-C4'-P energy: -48.933
tors. eta vs tors. theta energy: -72.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -920.071575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.071575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.071575 (E_RNA)
where:
Base-Base interactions energy: -650.421
where: short stacking energy: -265.864
Base-Backbone interact. energy: -1.244
local terms energy: -268.406785
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -69.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -849.905723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.905723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.905723 (E_RNA)
where:
Base-Base interactions energy: -582.280
where: short stacking energy: -255.991
Base-Backbone interact. energy: -0.406
local terms energy: -267.219710
where:
bonds (distance) C4'-P energy: -47.435
bonds (distance) P-C4' energy: -49.640
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -79.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -852.680020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.680020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.680020 (E_RNA)
where:
Base-Base interactions energy: -576.284
where: short stacking energy: -246.964
Base-Backbone interact. energy: -0.190
local terms energy: -276.205836
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -59.293
flat angles C4'-P-C4' energy: -54.789
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -76.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -714.579797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.579797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.579797 (E_RNA)
where:
Base-Base interactions energy: -459.737
where: short stacking energy: -222.508
Base-Backbone interact. energy: 3.970
local terms energy: -258.812991
where:
bonds (distance) C4'-P energy: -60.779
bonds (distance) P-C4' energy: -53.825
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -50.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -720.571209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.571209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.571209 (E_RNA)
where:
Base-Base interactions energy: -490.176
where: short stacking energy: -236.483
Base-Backbone interact. energy: -1.025
local terms energy: -229.370703
where:
bonds (distance) C4'-P energy: -36.975
bonds (distance) P-C4' energy: -50.729
flat angles C4'-P-C4' energy: -51.207
flat angles P-C4'-P energy: -28.785
tors. eta vs tors. theta energy: -61.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -507.488690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.488690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.488690 (E_RNA)
where:
Base-Base interactions energy: -286.228
where: short stacking energy: -145.807
Base-Backbone interact. energy: -0.709
local terms energy: -220.551644
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -58.705
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -30.009
tors. eta vs tors. theta energy: -39.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -561.782713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.782713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.782713 (E_RNA)
where:
Base-Base interactions energy: -350.651
where: short stacking energy: -172.735
Base-Backbone interact. energy: -0.915
local terms energy: -210.216352
where:
bonds (distance) C4'-P energy: -47.640
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -34.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -346.918379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.918379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.918379 (E_RNA)
where:
Base-Base interactions energy: -179.081
where: short stacking energy: -105.559
Base-Backbone interact. energy: -0.639
local terms energy: -167.197631
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -47.661
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -30.321
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1004.635070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.635070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.635070 (E_RNA)
where:
Base-Base interactions energy: -688.371
where: short stacking energy: -315.120
Base-Backbone interact. energy: -0.903
local terms energy: -315.361601
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -72.880
flat angles P-C4'-P energy: -37.745
tors. eta vs tors. theta energy: -91.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -953.051708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.051708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.051708 (E_RNA)
where:
Base-Base interactions energy: -672.963
where: short stacking energy: -282.632
Base-Backbone interact. energy: 0.935
local terms energy: -281.024215
where:
bonds (distance) C4'-P energy: -48.048
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -60.093
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -81.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -910.736553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.736553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.736553 (E_RNA)
where:
Base-Base interactions energy: -628.200
where: short stacking energy: -259.668
Base-Backbone interact. energy: -0.367
local terms energy: -282.169519
where:
bonds (distance) C4'-P energy: -57.842
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -58.349
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: -78.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -863.715828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.715828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.715828 (E_RNA)
where:
Base-Base interactions energy: -597.852
where: short stacking energy: -276.089
Base-Backbone interact. energy: -0.869
local terms energy: -264.994338
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -55.876
flat angles C4'-P-C4' energy: -47.431
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -80.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -863.970141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.970141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.970141 (E_RNA)
where:
Base-Base interactions energy: -589.030
where: short stacking energy: -273.378
Base-Backbone interact. energy: -1.895
local terms energy: -273.045034
where:
bonds (distance) C4'-P energy: -43.397
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -61.089
flat angles P-C4'-P energy: -38.501
tors. eta vs tors. theta energy: -74.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -731.828536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.828536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.828536 (E_RNA)
where:
Base-Base interactions energy: -479.386
where: short stacking energy: -233.316
Base-Backbone interact. energy: -1.093
local terms energy: -251.350062
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -50.932
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -63.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -696.571206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.571206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.571206 (E_RNA)
where:
Base-Base interactions energy: -447.648
where: short stacking energy: -194.462
Base-Backbone interact. energy: -0.927
local terms energy: -247.996002
where:
bonds (distance) C4'-P energy: -53.290
bonds (distance) P-C4' energy: -65.313
flat angles C4'-P-C4' energy: -50.080
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -54.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -629.954942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.954942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.954942 (E_RNA)
where:
Base-Base interactions energy: -392.426
where: short stacking energy: -202.612
Base-Backbone interact. energy: 0.591
local terms energy: -238.119269
where:
bonds (distance) C4'-P energy: -43.112
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -58.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -484.713577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.713577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.713577 (E_RNA)
where:
Base-Base interactions energy: -287.288
where: short stacking energy: -155.106
Base-Backbone interact. energy: -0.698
local terms energy: -196.727568
where:
bonds (distance) C4'-P energy: -43.055
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -45.305
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -344.474349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.474349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.474349 (E_RNA)
where:
Base-Base interactions energy: -172.432
where: short stacking energy: -96.929
Base-Backbone interact. energy: -1.070
local terms energy: -170.972603
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -48.633
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1001.557830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.557830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.557830 (E_RNA)
where:
Base-Base interactions energy: -673.395
where: short stacking energy: -299.620
Base-Backbone interact. energy: -0.850
local terms energy: -327.312428
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -58.743
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -47.009
tors. eta vs tors. theta energy: -91.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -971.195189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.195189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.195189 (E_RNA)
where:
Base-Base interactions energy: -673.976
where: short stacking energy: -286.024
Base-Backbone interact. energy: -1.657
local terms energy: -295.562472
where:
bonds (distance) C4'-P energy: -47.465
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -63.905
flat angles P-C4'-P energy: -47.176
tors. eta vs tors. theta energy: -81.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -927.084045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.084045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.084045 (E_RNA)
where:
Base-Base interactions energy: -652.031
where: short stacking energy: -262.375
Base-Backbone interact. energy: -1.532
local terms energy: -273.520730
where:
bonds (distance) C4'-P energy: -46.679
bonds (distance) P-C4' energy: -61.951
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -84.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -852.080414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.080414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.080414 (E_RNA)
where:
Base-Base interactions energy: -578.865
where: short stacking energy: -264.767
Base-Backbone interact. energy: -0.747
local terms energy: -272.468174
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -45.773
flat angles C4'-P-C4' energy: -63.771
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -75.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -861.421356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.421356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.421356 (E_RNA)
where:
Base-Base interactions energy: -598.844
where: short stacking energy: -265.654
Base-Backbone interact. energy: -0.610
local terms energy: -261.967668
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -43.725
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: -72.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -714.028294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.028294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.028294 (E_RNA)
where:
Base-Base interactions energy: -470.300
where: short stacking energy: -209.182
Base-Backbone interact. energy: 1.120
local terms energy: -244.848057
where:
bonds (distance) C4'-P energy: -49.401
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -54.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -650.794902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.794902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.794902 (E_RNA)
where:
Base-Base interactions energy: -433.218
where: short stacking energy: -179.833
Base-Backbone interact. energy: -1.197
local terms energy: -216.379952
where:
bonds (distance) C4'-P energy: -53.312
bonds (distance) P-C4' energy: -48.463
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -39.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -617.300513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.300513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.300513 (E_RNA)
where:
Base-Base interactions energy: -383.798
where: short stacking energy: -186.101
Base-Backbone interact. energy: -1.526
local terms energy: -231.976473
where:
bonds (distance) C4'-P energy: -57.634
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -42.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -454.690384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.690384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.690384 (E_RNA)
where:
Base-Base interactions energy: -270.792
where: short stacking energy: -120.551
Base-Backbone interact. energy: 0.280
local terms energy: -184.178576
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -47.805
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -340.959346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.959346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.959346 (E_RNA)
where:
Base-Base interactions energy: -172.847
where: short stacking energy: -96.587
Base-Backbone interact. energy: 0.708
local terms energy: -168.820810
where:
bonds (distance) C4'-P energy: -42.698
bonds (distance) P-C4' energy: -49.143
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -987.375097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.375097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.375097 (E_RNA)
where:
Base-Base interactions energy: -679.770
where: short stacking energy: -281.707
Base-Backbone interact. energy: -0.393
local terms energy: -307.211601
where:
bonds (distance) C4'-P energy: -49.659
bonds (distance) P-C4' energy: -58.080
flat angles C4'-P-C4' energy: -66.543
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: -85.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -975.672536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.672536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.672536 (E_RNA)
where:
Base-Base interactions energy: -674.857
where: short stacking energy: -278.451
Base-Backbone interact. energy: -2.334
local terms energy: -298.481604
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -59.156
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -40.622
tors. eta vs tors. theta energy: -81.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -920.518230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.518230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.518230 (E_RNA)
where:
Base-Base interactions energy: -650.291
where: short stacking energy: -286.410
Base-Backbone interact. energy: -1.141
local terms energy: -269.085788
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -53.456
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -84.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -877.275123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.275123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.275123 (E_RNA)
where:
Base-Base interactions energy: -606.137
where: short stacking energy: -263.300
Base-Backbone interact. energy: 1.683
local terms energy: -272.821503
where:
bonds (distance) C4'-P energy: -47.300
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -76.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -824.220374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.220374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.220374 (E_RNA)
where:
Base-Base interactions energy: -557.583
where: short stacking energy: -230.069
Base-Backbone interact. energy: -2.312
local terms energy: -264.325263
where:
bonds (distance) C4'-P energy: -61.145
bonds (distance) P-C4' energy: -46.803
flat angles C4'-P-C4' energy: -59.177
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -67.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -698.694702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.694702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.694702 (E_RNA)
where:
Base-Base interactions energy: -462.424
where: short stacking energy: -196.876
Base-Backbone interact. energy: 0.005
local terms energy: -236.275331
where:
bonds (distance) C4'-P energy: -56.507
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -48.859
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: -51.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -629.677068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.677068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.677068 (E_RNA)
where:
Base-Base interactions energy: -410.832
where: short stacking energy: -189.812
Base-Backbone interact. energy: -0.147
local terms energy: -218.697735
where:
bonds (distance) C4'-P energy: -46.920
bonds (distance) P-C4' energy: -50.739
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -28.047
tors. eta vs tors. theta energy: -39.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -611.692134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.692134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.692134 (E_RNA)
where:
Base-Base interactions energy: -376.459
where: short stacking energy: -178.193
Base-Backbone interact. energy: -1.062
local terms energy: -234.170948
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -51.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -451.313356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.313356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.313356 (E_RNA)
where:
Base-Base interactions energy: -256.944
where: short stacking energy: -129.490
Base-Backbone interact. energy: -1.432
local terms energy: -192.937274
where:
bonds (distance) C4'-P energy: -48.766
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -327.537755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.537755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.537755 (E_RNA)
where:
Base-Base interactions energy: -161.070
where: short stacking energy: -83.818
Base-Backbone interact. energy: 1.501
local terms energy: -167.968949
where:
bonds (distance) C4'-P energy: -52.003
bonds (distance) P-C4' energy: -52.193
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -992.337050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.337050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.337050 (E_RNA)
where:
Base-Base interactions energy: -671.053
where: short stacking energy: -296.460
Base-Backbone interact. energy: 0.211
local terms energy: -321.494164
where:
bonds (distance) C4'-P energy: -58.994
bonds (distance) P-C4' energy: -56.542
flat angles C4'-P-C4' energy: -65.438
flat angles P-C4'-P energy: -47.225
tors. eta vs tors. theta energy: -93.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -982.468177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.468177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.468177 (E_RNA)
where:
Base-Base interactions energy: -683.637
where: short stacking energy: -275.761
Base-Backbone interact. energy: -2.250
local terms energy: -296.581164
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -45.270
tors. eta vs tors. theta energy: -79.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -925.612038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.612038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.612038 (E_RNA)
where:
Base-Base interactions energy: -623.131
where: short stacking energy: -263.548
Base-Backbone interact. energy: -1.392
local terms energy: -301.088984
where:
bonds (distance) C4'-P energy: -56.313
bonds (distance) P-C4' energy: -65.966
flat angles C4'-P-C4' energy: -67.839
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: -81.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -849.527814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.527814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.527814 (E_RNA)
where:
Base-Base interactions energy: -579.619
where: short stacking energy: -253.483
Base-Backbone interact. energy: -2.254
local terms energy: -267.653911
where:
bonds (distance) C4'-P energy: -51.248
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -40.201
tors. eta vs tors. theta energy: -73.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -825.996476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.996476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.996476 (E_RNA)
where:
Base-Base interactions energy: -560.191
where: short stacking energy: -247.489
Base-Backbone interact. energy: 0.146
local terms energy: -265.951492
where:
bonds (distance) C4'-P energy: -47.252
bonds (distance) P-C4' energy: -50.521
flat angles C4'-P-C4' energy: -58.082
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: -71.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -714.628649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.628649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.628649 (E_RNA)
where:
Base-Base interactions energy: -466.802
where: short stacking energy: -225.048
Base-Backbone interact. energy: -0.245
local terms energy: -247.581200
where:
bonds (distance) C4'-P energy: -43.135
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -56.817
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -62.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -627.507475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.507475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.507475 (E_RNA)
where:
Base-Base interactions energy: -405.185
where: short stacking energy: -201.784
Base-Backbone interact. energy: -0.609
local terms energy: -221.712913
where:
bonds (distance) C4'-P energy: -36.758
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -44.264
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -55.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -650.420803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.420803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.420803 (E_RNA)
where:
Base-Base interactions energy: -422.442
where: short stacking energy: -188.950
Base-Backbone interact. energy: -0.778
local terms energy: -227.200269
where:
bonds (distance) C4'-P energy: -44.208
bonds (distance) P-C4' energy: -56.287
flat angles C4'-P-C4' energy: -52.456
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -44.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -429.134966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.134966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.134966 (E_RNA)
where:
Base-Base interactions energy: -236.388
where: short stacking energy: -130.639
Base-Backbone interact. energy: 0.661
local terms energy: -193.407755
where:
bonds (distance) C4'-P energy: -37.437
bonds (distance) P-C4' energy: -39.787
flat angles C4'-P-C4' energy: -51.235
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -26.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -366.610336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.610336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.610336 (E_RNA)
where:
Base-Base interactions energy: -183.558
where: short stacking energy: -108.424
Base-Backbone interact. energy: -0.962
local terms energy: -182.090632
where:
bonds (distance) C4'-P energy: -51.287
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -40.821
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -9.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -991.691873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.691873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.691873 (E_RNA)
where:
Base-Base interactions energy: -678.054
where: short stacking energy: -291.013
Base-Backbone interact. energy: -0.800
local terms energy: -312.837702
where:
bonds (distance) C4'-P energy: -52.995
bonds (distance) P-C4' energy: -62.534
flat angles C4'-P-C4' energy: -65.611
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -93.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -974.152079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.152079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.152079 (E_RNA)
where:
Base-Base interactions energy: -671.557
where: short stacking energy: -281.912
Base-Backbone interact. energy: -0.005
local terms energy: -302.590113
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -51.479
flat angles C4'-P-C4' energy: -66.550
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -81.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -947.396549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.396549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.396549 (E_RNA)
where:
Base-Base interactions energy: -647.900
where: short stacking energy: -273.463
Base-Backbone interact. energy: -0.833
local terms energy: -298.663715
where:
bonds (distance) C4'-P energy: -48.256
bonds (distance) P-C4' energy: -55.760
flat angles C4'-P-C4' energy: -57.232
flat angles P-C4'-P energy: -46.830
tors. eta vs tors. theta energy: -90.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -878.264970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.264970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.264970 (E_RNA)
where:
Base-Base interactions energy: -591.837
where: short stacking energy: -262.825
Base-Backbone interact. energy: -0.949
local terms energy: -285.479064
where:
bonds (distance) C4'-P energy: -49.873
bonds (distance) P-C4' energy: -59.085
flat angles C4'-P-C4' energy: -56.825
flat angles P-C4'-P energy: -41.363
tors. eta vs tors. theta energy: -78.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -812.364949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.364949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.364949 (E_RNA)
where:
Base-Base interactions energy: -547.131
where: short stacking energy: -232.616
Base-Backbone interact. energy: -1.072
local terms energy: -264.161211
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -55.235
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -62.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -710.660130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.660130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.660130 (E_RNA)
where:
Base-Base interactions energy: -468.726
where: short stacking energy: -208.683
Base-Backbone interact. energy: 1.169
local terms energy: -243.102523
where:
bonds (distance) C4'-P energy: -58.874
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -55.868
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: -54.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -654.248601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.248601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.248601 (E_RNA)
where:
Base-Base interactions energy: -410.563
where: short stacking energy: -201.842
Base-Backbone interact. energy: -0.595
local terms energy: -243.090243
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -53.407
flat angles P-C4'-P energy: -33.758
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -595.226494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.226494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.226494 (E_RNA)
where:
Base-Base interactions energy: -370.722
where: short stacking energy: -158.593
Base-Backbone interact. energy: -1.280
local terms energy: -223.224221
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -53.219
flat angles C4'-P-C4' energy: -47.263
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -42.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -430.943055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.943055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.943055 (E_RNA)
where:
Base-Base interactions energy: -247.192
where: short stacking energy: -128.814
Base-Backbone interact. energy: -0.887
local terms energy: -182.864319
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -46.714
flat angles C4'-P-C4' energy: -40.838
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -359.364974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.364974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.364974 (E_RNA)
where:
Base-Base interactions energy: -171.714
where: short stacking energy: -106.823
Base-Backbone interact. energy: 2.127
local terms energy: -189.778580
where:
bonds (distance) C4'-P energy: -43.910
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -44.810
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -995.496234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.496234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.496234 (E_RNA)
where:
Base-Base interactions energy: -678.941
where: short stacking energy: -300.990
Base-Backbone interact. energy: 0.149
local terms energy: -316.704081
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -59.324
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -100.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -961.612731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.612731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.612731 (E_RNA)
where:
Base-Base interactions energy: -663.084
where: short stacking energy: -278.261
Base-Backbone interact. energy: -1.553
local terms energy: -296.975219
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -58.991
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -78.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -884.416209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.416209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.416209 (E_RNA)
where:
Base-Base interactions energy: -592.300
where: short stacking energy: -273.980
Base-Backbone interact. energy: -0.002
local terms energy: -292.113884
where:
bonds (distance) C4'-P energy: -49.083
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -87.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -882.486120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.486120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.486120 (E_RNA)
where:
Base-Base interactions energy: -608.455
where: short stacking energy: -262.541
Base-Backbone interact. energy: -1.981
local terms energy: -272.050467
where:
bonds (distance) C4'-P energy: -44.158
bonds (distance) P-C4' energy: -57.238
flat angles C4'-P-C4' energy: -49.656
flat angles P-C4'-P energy: -37.573
tors. eta vs tors. theta energy: -83.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -796.734442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.734442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.734442 (E_RNA)
where:
Base-Base interactions energy: -539.063
where: short stacking energy: -228.106
Base-Backbone interact. energy: -1.003
local terms energy: -256.668518
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -40.322
flat angles C4'-P-C4' energy: -59.979
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -65.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -752.220484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.220484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.220484 (E_RNA)
where:
Base-Base interactions energy: -509.735
where: short stacking energy: -212.377
Base-Backbone interact. energy: 0.556
local terms energy: -243.041345
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -55.542
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -62.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -634.545093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.545093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.545093 (E_RNA)
where:
Base-Base interactions energy: -405.927
where: short stacking energy: -193.831
Base-Backbone interact. energy: -1.585
local terms energy: -227.033227
where:
bonds (distance) C4'-P energy: -48.632
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -35.559
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -566.020250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.020250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.020250 (E_RNA)
where:
Base-Base interactions energy: -350.247
where: short stacking energy: -153.294
Base-Backbone interact. energy: 2.266
local terms energy: -218.039701
where:
bonds (distance) C4'-P energy: -49.041
bonds (distance) P-C4' energy: -43.187
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -32.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -471.147377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.147377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.147377 (E_RNA)
where:
Base-Base interactions energy: -271.847
where: short stacking energy: -148.311
Base-Backbone interact. energy: -0.270
local terms energy: -199.030251
where:
bonds (distance) C4'-P energy: -48.944
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -51.164
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -310.944444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.944444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.944444 (E_RNA)
where:
Base-Base interactions energy: -152.843
where: short stacking energy: -93.481
Base-Backbone interact. energy: -0.754
local terms energy: -157.348025
where:
bonds (distance) C4'-P energy: -41.243
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: 7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1005.380535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.380535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.380535 (E_RNA)
where:
Base-Base interactions energy: -692.390
where: short stacking energy: -314.901
Base-Backbone interact. energy: -1.194
local terms energy: -311.796049
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -97.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -965.570318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.570318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.570318 (E_RNA)
where:
Base-Base interactions energy: -671.861
where: short stacking energy: -273.328
Base-Backbone interact. energy: -1.046
local terms energy: -292.663628
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -52.017
flat angles C4'-P-C4' energy: -61.374
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -82.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -903.476601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.476601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.476601 (E_RNA)
where:
Base-Base interactions energy: -609.535
where: short stacking energy: -261.860
Base-Backbone interact. energy: -1.003
local terms energy: -292.938623
where:
bonds (distance) C4'-P energy: -46.443
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -67.885
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -83.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -902.600778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.600778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.600778 (E_RNA)
where:
Base-Base interactions energy: -619.850
where: short stacking energy: -267.696
Base-Backbone interact. energy: -0.376
local terms energy: -282.374739
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -53.254
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -80.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -757.418858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.418858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.418858 (E_RNA)
where:
Base-Base interactions energy: -487.682
where: short stacking energy: -223.180
Base-Backbone interact. energy: -1.052
local terms energy: -268.684581
where:
bonds (distance) C4'-P energy: -56.223
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -62.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -815.856900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.856900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.856900 (E_RNA)
where:
Base-Base interactions energy: -545.930
where: short stacking energy: -246.885
Base-Backbone interact. energy: 0.416
local terms energy: -270.343300
where:
bonds (distance) C4'-P energy: -38.939
bonds (distance) P-C4' energy: -58.737
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -67.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -686.351437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.351437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.351437 (E_RNA)
where:
Base-Base interactions energy: -421.689
where: short stacking energy: -198.362
Base-Backbone interact. energy: -1.620
local terms energy: -263.042534
where:
bonds (distance) C4'-P energy: -49.313
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -66.504
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -51.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -581.926534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.926534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.926534 (E_RNA)
where:
Base-Base interactions energy: -355.416
where: short stacking energy: -163.769
Base-Backbone interact. energy: -0.882
local terms energy: -225.628581
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -61.818
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -449.523670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.523670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.523670 (E_RNA)
where:
Base-Base interactions energy: -231.896
where: short stacking energy: -115.271
Base-Backbone interact. energy: -0.581
local terms energy: -217.047372
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -65.588
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -330.600305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.600305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.600305 (E_RNA)
where:
Base-Base interactions energy: -187.815
where: short stacking energy: -109.850
Base-Backbone interact. energy: -0.198
local terms energy: -142.588185
where:
bonds (distance) C4'-P energy: -47.715
bonds (distance) P-C4' energy: -47.172
flat angles C4'-P-C4' energy: -35.873
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: 3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -990.561525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.561525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.561525 (E_RNA)
where:
Base-Base interactions energy: -661.377
where: short stacking energy: -297.465
Base-Backbone interact. energy: -0.110
local terms energy: -329.074359
where:
bonds (distance) C4'-P energy: -62.210
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -61.456
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -95.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -959.598099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.598099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.598099 (E_RNA)
where:
Base-Base interactions energy: -669.935
where: short stacking energy: -281.780
Base-Backbone interact. energy: -2.329
local terms energy: -287.333959
where:
bonds (distance) C4'-P energy: -53.356
bonds (distance) P-C4' energy: -50.943
flat angles C4'-P-C4' energy: -57.718
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -78.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -937.745050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.745050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.745050 (E_RNA)
where:
Base-Base interactions energy: -657.154
where: short stacking energy: -281.167
Base-Backbone interact. energy: -0.844
local terms energy: -279.747314
where:
bonds (distance) C4'-P energy: -37.232
bonds (distance) P-C4' energy: -57.450
flat angles C4'-P-C4' energy: -61.232
flat angles P-C4'-P energy: -39.771
tors. eta vs tors. theta energy: -84.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -853.050387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.050387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.050387 (E_RNA)
where:
Base-Base interactions energy: -569.283
where: short stacking energy: -259.348
Base-Backbone interact. energy: -0.796
local terms energy: -282.972030
where:
bonds (distance) C4'-P energy: -61.608
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -42.034
tors. eta vs tors. theta energy: -72.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -808.598142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.598142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.598142 (E_RNA)
where:
Base-Base interactions energy: -554.641
where: short stacking energy: -251.621
Base-Backbone interact. energy: -0.025
local terms energy: -253.932201
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -54.085
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -61.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -769.877316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.877316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.877316 (E_RNA)
where:
Base-Base interactions energy: -525.936
where: short stacking energy: -237.790
Base-Backbone interact. energy: -3.399
local terms energy: -240.542507
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -48.609
flat angles C4'-P-C4' energy: -48.772
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -63.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -674.577579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.577579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.577579 (E_RNA)
where:
Base-Base interactions energy: -419.296
where: short stacking energy: -192.036
Base-Backbone interact. energy: 1.341
local terms energy: -256.622757
where:
bonds (distance) C4'-P energy: -56.917
bonds (distance) P-C4' energy: -47.124
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -53.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -560.644855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.644855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.644855 (E_RNA)
where:
Base-Base interactions energy: -354.275
where: short stacking energy: -155.303
Base-Backbone interact. energy: -0.795
local terms energy: -205.574883
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -30.693
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -471.408443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.408443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.408443 (E_RNA)
where:
Base-Base interactions energy: -277.981
where: short stacking energy: -145.817
Base-Backbone interact. energy: 0.136
local terms energy: -193.563822
where:
bonds (distance) C4'-P energy: -44.831
bonds (distance) P-C4' energy: -63.963
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -361.488535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.488535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.488535 (E_RNA)
where:
Base-Base interactions energy: -179.256
where: short stacking energy: -99.575
Base-Backbone interact. energy: -1.111
local terms energy: -181.121321
where:
bonds (distance) C4'-P energy: -46.555
bonds (distance) P-C4' energy: -48.019
flat angles C4'-P-C4' energy: -52.962
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -998.543712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.543712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.543712 (E_RNA)
where:
Base-Base interactions energy: -684.695
where: short stacking energy: -307.321
Base-Backbone interact. energy: -0.573
local terms energy: -313.275901
where:
bonds (distance) C4'-P energy: -62.422
bonds (distance) P-C4' energy: -52.085
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -94.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -952.767886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.767886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.767886 (E_RNA)
where:
Base-Base interactions energy: -644.223
where: short stacking energy: -277.894
Base-Backbone interact. energy: -2.060
local terms energy: -306.484333
where:
bonds (distance) C4'-P energy: -61.432
bonds (distance) P-C4' energy: -55.899
flat angles C4'-P-C4' energy: -67.953
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -78.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -919.512821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.512821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.512821 (E_RNA)
where:
Base-Base interactions energy: -626.989
where: short stacking energy: -278.111
Base-Backbone interact. energy: -0.646
local terms energy: -291.878045
where:
bonds (distance) C4'-P energy: -52.150
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -62.963
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -79.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -853.006310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.006310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.006310 (E_RNA)
where:
Base-Base interactions energy: -568.524
where: short stacking energy: -262.931
Base-Backbone interact. energy: -0.941
local terms energy: -283.541475
where:
bonds (distance) C4'-P energy: -53.992
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -63.122
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -74.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -773.256874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.256874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.256874 (E_RNA)
where:
Base-Base interactions energy: -511.452
where: short stacking energy: -220.208
Base-Backbone interact. energy: -1.339
local terms energy: -260.466236
where:
bonds (distance) C4'-P energy: -47.553
bonds (distance) P-C4' energy: -57.453
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -42.827
tors. eta vs tors. theta energy: -57.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -787.982873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.982873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.982873 (E_RNA)
where:
Base-Base interactions energy: -519.004
where: short stacking energy: -240.036
Base-Backbone interact. energy: -0.543
local terms energy: -268.435258
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -55.958
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -70.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -706.837531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.837531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.837531 (E_RNA)
where:
Base-Base interactions energy: -470.614
where: short stacking energy: -216.940
Base-Backbone interact. energy: 1.069
local terms energy: -237.292620
where:
bonds (distance) C4'-P energy: -48.689
bonds (distance) P-C4' energy: -48.028
flat angles C4'-P-C4' energy: -54.217
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -61.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -492.298305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.298305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.298305 (E_RNA)
where:
Base-Base interactions energy: -300.639
where: short stacking energy: -135.013
Base-Backbone interact. energy: -1.286
local terms energy: -190.373324
where:
bonds (distance) C4'-P energy: -50.662
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -36.657
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -465.642408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.642408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.642408 (E_RNA)
where:
Base-Base interactions energy: -298.114
where: short stacking energy: -150.058
Base-Backbone interact. energy: 0.126
local terms energy: -167.654456
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -48.379
flat angles P-C4'-P energy: -23.012
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -327.148749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.148749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.148749 (E_RNA)
where:
Base-Base interactions energy: -179.426
where: short stacking energy: -101.246
Base-Backbone interact. energy: -1.575
local terms energy: -146.146873
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -984.796157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.796157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.796157 (E_RNA)
where:
Base-Base interactions energy: -666.871
where: short stacking energy: -298.494
Base-Backbone interact. energy: -1.038
local terms energy: -316.886818
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -59.789
flat angles C4'-P-C4' energy: -63.550
flat angles P-C4'-P energy: -42.216
tors. eta vs tors. theta energy: -96.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -958.629121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.629121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.629121 (E_RNA)
where:
Base-Base interactions energy: -662.323
where: short stacking energy: -266.592
Base-Backbone interact. energy: -0.588
local terms energy: -295.718413
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -61.838
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -77.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -925.620175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.620175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.620175 (E_RNA)
where:
Base-Base interactions energy: -635.325
where: short stacking energy: -290.387
Base-Backbone interact. energy: -1.359
local terms energy: -288.935787
where:
bonds (distance) C4'-P energy: -48.477
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -85.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -892.206955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.206955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.206955 (E_RNA)
where:
Base-Base interactions energy: -606.546
where: short stacking energy: -277.197
Base-Backbone interact. energy: 0.152
local terms energy: -285.813344
where:
bonds (distance) C4'-P energy: -46.802
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -62.003
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -87.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -802.394608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.394608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.394608 (E_RNA)
where:
Base-Base interactions energy: -545.518
where: short stacking energy: -243.598
Base-Backbone interact. energy: -0.640
local terms energy: -256.236682
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -64.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -805.591889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.591889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.591889 (E_RNA)
where:
Base-Base interactions energy: -548.252
where: short stacking energy: -253.417
Base-Backbone interact. energy: -3.047
local terms energy: -254.293413
where:
bonds (distance) C4'-P energy: -48.492
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -55.421
flat angles P-C4'-P energy: -36.915
tors. eta vs tors. theta energy: -68.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -686.173435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.173435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.173435 (E_RNA)
where:
Base-Base interactions energy: -442.495
where: short stacking energy: -204.623
Base-Backbone interact. energy: -1.903
local terms energy: -241.775175
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -57.639
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -60.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -522.500496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.500496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.500496 (E_RNA)
where:
Base-Base interactions energy: -312.111
where: short stacking energy: -149.579
Base-Backbone interact. energy: 0.070
local terms energy: -210.459466
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -48.820
flat angles C4'-P-C4' energy: -45.443
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -29.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -473.891234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.891234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.891234 (E_RNA)
where:
Base-Base interactions energy: -269.722
where: short stacking energy: -143.445
Base-Backbone interact. energy: 1.211
local terms energy: -205.380174
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -50.309
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -373.345357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.345357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.345357 (E_RNA)
where:
Base-Base interactions energy: -203.058
where: short stacking energy: -120.222
Base-Backbone interact. energy: 2.366
local terms energy: -172.653108
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -41.442
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -995.727998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.727998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.727998 (E_RNA)
where:
Base-Base interactions energy: -678.513
where: short stacking energy: -300.633
Base-Backbone interact. energy: -0.234
local terms energy: -316.981374
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -59.656
flat angles P-C4'-P energy: -54.106
tors. eta vs tors. theta energy: -100.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -930.078404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.078404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.078404 (E_RNA)
where:
Base-Base interactions energy: -637.641
where: short stacking energy: -270.578
Base-Backbone interact. energy: -1.284
local terms energy: -291.154122
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -55.719
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: -81.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -948.912478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.912478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.912478 (E_RNA)
where:
Base-Base interactions energy: -660.306
where: short stacking energy: -272.693
Base-Backbone interact. energy: -0.349
local terms energy: -288.257451
where:
bonds (distance) C4'-P energy: -47.187
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -62.380
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -78.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -885.654002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.654002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.654002 (E_RNA)
where:
Base-Base interactions energy: -595.834
where: short stacking energy: -278.428
Base-Backbone interact. energy: -0.429
local terms energy: -289.391093
where:
bonds (distance) C4'-P energy: -47.227
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -62.793
flat angles P-C4'-P energy: -41.429
tors. eta vs tors. theta energy: -84.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -834.049455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.049455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.049455 (E_RNA)
where:
Base-Base interactions energy: -559.739
where: short stacking energy: -228.126
Base-Backbone interact. energy: 0.069
local terms energy: -274.379510
where:
bonds (distance) C4'-P energy: -53.493
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -69.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -789.371383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.371383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.371383 (E_RNA)
where:
Base-Base interactions energy: -525.821
where: short stacking energy: -224.933
Base-Backbone interact. energy: -0.535
local terms energy: -263.015331
where:
bonds (distance) C4'-P energy: -47.758
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -50.453
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -66.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -676.400223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.400223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.400223 (E_RNA)
where:
Base-Base interactions energy: -432.116
where: short stacking energy: -187.359
Base-Backbone interact. energy: -1.543
local terms energy: -242.740314
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -48.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -494.954576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.954576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.954576 (E_RNA)
where:
Base-Base interactions energy: -317.553
where: short stacking energy: -147.988
Base-Backbone interact. energy: -0.407
local terms energy: -176.994514
where:
bonds (distance) C4'-P energy: -37.068
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -38.596
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -464.365521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.365521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.365521 (E_RNA)
where:
Base-Base interactions energy: -287.485
where: short stacking energy: -134.344
Base-Backbone interact. energy: 1.171
local terms energy: -178.051574
where:
bonds (distance) C4'-P energy: -50.958
bonds (distance) P-C4' energy: -46.958
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -377.069974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.069974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.069974 (E_RNA)
where:
Base-Base interactions energy: -203.281
where: short stacking energy: -114.843
Base-Backbone interact. energy: -0.578
local terms energy: -173.211171
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -45.833
flat angles C4'-P-C4' energy: -41.785
flat angles P-C4'-P energy: -25.654
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1004.460246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.460246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.460246 (E_RNA)
where:
Base-Base interactions energy: -682.593
where: short stacking energy: -304.706
Base-Backbone interact. energy: 0.143
local terms energy: -322.010367
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -56.927
flat angles C4'-P-C4' energy: -61.801
flat angles P-C4'-P energy: -51.559
tors. eta vs tors. theta energy: -90.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -946.955959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.955959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.955959 (E_RNA)
where:
Base-Base interactions energy: -662.693
where: short stacking energy: -287.488
Base-Backbone interact. energy: -2.034
local terms energy: -282.228913
where:
bonds (distance) C4'-P energy: -46.567
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -61.401
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -84.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -948.151662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.151662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.151662 (E_RNA)
where:
Base-Base interactions energy: -659.137
where: short stacking energy: -272.220
Base-Backbone interact. energy: -0.127
local terms energy: -288.887561
where:
bonds (distance) C4'-P energy: -48.417
bonds (distance) P-C4' energy: -56.810
flat angles C4'-P-C4' energy: -64.344
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -81.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -859.147403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.147403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.147403 (E_RNA)
where:
Base-Base interactions energy: -583.007
where: short stacking energy: -278.844
Base-Backbone interact. energy: -1.843
local terms energy: -274.297446
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -54.507
flat angles C4'-P-C4' energy: -56.774
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -74.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -825.772331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.772331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.772331 (E_RNA)
where:
Base-Base interactions energy: -561.113
where: short stacking energy: -251.228
Base-Backbone interact. energy: 1.518
local terms energy: -266.177283
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -52.717
flat angles C4'-P-C4' energy: -54.187
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -65.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -753.129801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.129801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.129801 (E_RNA)
where:
Base-Base interactions energy: -495.177
where: short stacking energy: -206.956
Base-Backbone interact. energy: -0.511
local terms energy: -257.441627
where:
bonds (distance) C4'-P energy: -55.680
bonds (distance) P-C4' energy: -56.835
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -57.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -704.754362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.754362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.754362 (E_RNA)
where:
Base-Base interactions energy: -448.173
where: short stacking energy: -210.942
Base-Backbone interact. energy: 2.143
local terms energy: -258.724486
where:
bonds (distance) C4'-P energy: -49.834
bonds (distance) P-C4' energy: -50.131
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -63.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -504.500899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.500899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.500899 (E_RNA)
where:
Base-Base interactions energy: -322.686
where: short stacking energy: -148.708
Base-Backbone interact. energy: -2.037
local terms energy: -179.777417
where:
bonds (distance) C4'-P energy: -54.889
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -42.932
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -487.302257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.302257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.302257 (E_RNA)
where:
Base-Base interactions energy: -307.025
where: short stacking energy: -128.769
Base-Backbone interact. energy: 1.009
local terms energy: -181.286307
where:
bonds (distance) C4'-P energy: -48.815
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -41.472
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -358.770588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.770588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.770588 (E_RNA)
where:
Base-Base interactions energy: -196.940
where: short stacking energy: -103.845
Base-Backbone interact. energy: 4.867
local terms energy: -166.697763
where:
bonds (distance) C4'-P energy: -42.631
bonds (distance) P-C4' energy: -52.366
flat angles C4'-P-C4' energy: -39.539
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -984.613041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.613041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.613041 (E_RNA)
where:
Base-Base interactions energy: -674.002
where: short stacking energy: -302.140
Base-Backbone interact. energy: -0.450
local terms energy: -310.161450
where:
bonds (distance) C4'-P energy: -46.948
bonds (distance) P-C4' energy: -58.681
flat angles C4'-P-C4' energy: -64.372
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -97.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -926.574363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.574363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.574363 (E_RNA)
where:
Base-Base interactions energy: -633.419
where: short stacking energy: -267.795
Base-Backbone interact. energy: -1.519
local terms energy: -291.636484
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -44.993
tors. eta vs tors. theta energy: -79.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -915.976424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.976424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.976424 (E_RNA)
where:
Base-Base interactions energy: -621.943
where: short stacking energy: -263.409
Base-Backbone interact. energy: -1.466
local terms energy: -292.567050
where:
bonds (distance) C4'-P energy: -53.731
bonds (distance) P-C4' energy: -58.975
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -41.102
tors. eta vs tors. theta energy: -80.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -899.643209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.643209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.643209 (E_RNA)
where:
Base-Base interactions energy: -599.408
where: short stacking energy: -278.972
Base-Backbone interact. energy: -2.128
local terms energy: -298.107317
where:
bonds (distance) C4'-P energy: -52.832
bonds (distance) P-C4' energy: -54.284
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -86.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -832.167715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.167715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.167715 (E_RNA)
where:
Base-Base interactions energy: -563.002
where: short stacking energy: -250.109
Base-Backbone interact. energy: -0.135
local terms energy: -269.030631
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -57.664
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: -72.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -790.288946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.288946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.288946 (E_RNA)
where:
Base-Base interactions energy: -529.850
where: short stacking energy: -240.498
Base-Backbone interact. energy: 1.254
local terms energy: -261.693142
where:
bonds (distance) C4'-P energy: -52.266
bonds (distance) P-C4' energy: -56.073
flat angles C4'-P-C4' energy: -60.012
flat angles P-C4'-P energy: -31.185
tors. eta vs tors. theta energy: -62.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -698.928834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.928834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.928834 (E_RNA)
where:
Base-Base interactions energy: -469.414
where: short stacking energy: -225.441
Base-Backbone interact. energy: -0.850
local terms energy: -228.664679
where:
bonds (distance) C4'-P energy: -31.888
bonds (distance) P-C4' energy: -34.503
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -44.013
tors. eta vs tors. theta energy: -59.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -533.529654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.529654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.529654 (E_RNA)
where:
Base-Base interactions energy: -327.856
where: short stacking energy: -148.704
Base-Backbone interact. energy: -1.128
local terms energy: -204.545352
where:
bonds (distance) C4'-P energy: -45.781
bonds (distance) P-C4' energy: -51.675
flat angles C4'-P-C4' energy: -42.414
flat angles P-C4'-P energy: -31.753
tors. eta vs tors. theta energy: -32.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -457.132542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.132542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.132542 (E_RNA)
where:
Base-Base interactions energy: -258.217
where: short stacking energy: -134.908
Base-Backbone interact. energy: -1.808
local terms energy: -197.107168
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -336.675721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.675721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.675721 (E_RNA)
where:
Base-Base interactions energy: -170.009
where: short stacking energy: -82.333
Base-Backbone interact. energy: -1.092
local terms energy: -165.574549
where:
bonds (distance) C4'-P energy: -44.875
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -43.611
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1010.168574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.168574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.168574 (E_RNA)
where:
Base-Base interactions energy: -686.777
where: short stacking energy: -313.922
Base-Backbone interact. energy: -0.285
local terms energy: -323.106270
where:
bonds (distance) C4'-P energy: -60.894
bonds (distance) P-C4' energy: -57.428
flat angles C4'-P-C4' energy: -63.916
flat angles P-C4'-P energy: -44.784
tors. eta vs tors. theta energy: -96.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -966.263161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.263161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.263161 (E_RNA)
where:
Base-Base interactions energy: -669.639
where: short stacking energy: -272.410
Base-Backbone interact. energy: -2.453
local terms energy: -294.171317
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -58.925
flat angles C4'-P-C4' energy: -61.499
flat angles P-C4'-P energy: -46.203
tors. eta vs tors. theta energy: -76.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -901.046354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.046354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.046354 (E_RNA)
where:
Base-Base interactions energy: -621.646
where: short stacking energy: -266.041
Base-Backbone interact. energy: -2.028
local terms energy: -277.372838
where:
bonds (distance) C4'-P energy: -56.743
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -77.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -904.516843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.516843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.516843 (E_RNA)
where:
Base-Base interactions energy: -615.450
where: short stacking energy: -263.887
Base-Backbone interact. energy: 1.376
local terms energy: -290.442784
where:
bonds (distance) C4'-P energy: -53.303
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -51.680
flat angles P-C4'-P energy: -48.954
tors. eta vs tors. theta energy: -82.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -833.721359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.721359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.721359 (E_RNA)
where:
Base-Base interactions energy: -565.052
where: short stacking energy: -241.226
Base-Backbone interact. energy: -0.681
local terms energy: -267.988906
where:
bonds (distance) C4'-P energy: -49.130
bonds (distance) P-C4' energy: -47.976
flat angles C4'-P-C4' energy: -59.443
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -72.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -759.705047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.705047 (E_RNA)
where:
Base-Base interactions energy: -510.716
where: short stacking energy: -221.696
Base-Backbone interact. energy: -0.915
local terms energy: -248.073999
where:
bonds (distance) C4'-P energy: -50.203
bonds (distance) P-C4' energy: -57.328
flat angles C4'-P-C4' energy: -49.966
flat angles P-C4'-P energy: -33.200
tors. eta vs tors. theta energy: -57.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -638.972639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.972639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.972639 (E_RNA)
where:
Base-Base interactions energy: -398.190
where: short stacking energy: -194.288
Base-Backbone interact. energy: 2.047
local terms energy: -242.829020
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -54.988
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -56.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -556.160461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.160461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.160461 (E_RNA)
where:
Base-Base interactions energy: -362.532
where: short stacking energy: -178.413
Base-Backbone interact. energy: -0.182
local terms energy: -193.446852
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -46.954
flat angles C4'-P-C4' energy: -43.808
flat angles P-C4'-P energy: -29.906
tors. eta vs tors. theta energy: -32.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -459.842171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.842171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.842171 (E_RNA)
where:
Base-Base interactions energy: -267.595
where: short stacking energy: -126.600
Base-Backbone interact. energy: 2.255
local terms energy: -194.502252
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -57.666
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -338.323604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.323604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.323604 (E_RNA)
where:
Base-Base interactions energy: -181.296
where: short stacking energy: -103.177
Base-Backbone interact. energy: -0.696
local terms energy: -156.331098
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -46.203
flat angles C4'-P-C4' energy: -40.441
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -989.561084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.561084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.561084 (E_RNA)
where:
Base-Base interactions energy: -671.302
where: short stacking energy: -309.392
Base-Backbone interact. energy: -0.521
local terms energy: -317.738122
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -67.386
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -96.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -963.180787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.180787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.180787 (E_RNA)
where:
Base-Base interactions energy: -668.790
where: short stacking energy: -276.223
Base-Backbone interact. energy: -1.807
local terms energy: -292.583305
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -64.368
flat angles C4'-P-C4' energy: -56.740
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -84.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -888.820200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.820200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.820200 (E_RNA)
where:
Base-Base interactions energy: -606.223
where: short stacking energy: -260.372
Base-Backbone interact. energy: -0.545
local terms energy: -282.052318
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -53.198
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -90.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -864.992094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.992094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.992094 (E_RNA)
where:
Base-Base interactions energy: -598.827
where: short stacking energy: -257.694
Base-Backbone interact. energy: -1.063
local terms energy: -265.102459
where:
bonds (distance) C4'-P energy: -50.572
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -31.351
tors. eta vs tors. theta energy: -78.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -813.806539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.806539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.806539 (E_RNA)
where:
Base-Base interactions energy: -559.409
where: short stacking energy: -253.744
Base-Backbone interact. energy: -0.982
local terms energy: -253.415191
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -51.446
flat angles C4'-P-C4' energy: -53.475
flat angles P-C4'-P energy: -29.225
tors. eta vs tors. theta energy: -76.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -767.953819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.953819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.953819 (E_RNA)
where:
Base-Base interactions energy: -511.465
where: short stacking energy: -231.295
Base-Backbone interact. energy: -0.210
local terms energy: -256.278965
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -54.720
flat angles C4'-P-C4' energy: -45.193
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -68.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -653.874477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.874477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.874477 (E_RNA)
where:
Base-Base interactions energy: -410.352
where: short stacking energy: -191.784
Base-Backbone interact. energy: -1.521
local terms energy: -242.002012
where:
bonds (distance) C4'-P energy: -55.790
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -56.911
flat angles P-C4'-P energy: -28.867
tors. eta vs tors. theta energy: -47.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -554.005819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.005819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.005819 (E_RNA)
where:
Base-Base interactions energy: -355.085
where: short stacking energy: -166.597
Base-Backbone interact. energy: -0.186
local terms energy: -198.734322
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -40.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -456.920884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.920884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.920884 (E_RNA)
where:
Base-Base interactions energy: -268.676
where: short stacking energy: -134.006
Base-Backbone interact. energy: -1.196
local terms energy: -187.049510
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -32.022
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -334.469244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.469244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.469244 (E_RNA)
where:
Base-Base interactions energy: -179.431
where: short stacking energy: -103.357
Base-Backbone interact. energy: 2.913
local terms energy: -157.951748
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -52.115
flat angles C4'-P-C4' energy: -48.961
flat angles P-C4'-P energy: -29.942
tors. eta vs tors. theta energy: 0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -989.865406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.865406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.865406 (E_RNA)
where:
Base-Base interactions energy: -671.062
where: short stacking energy: -301.014
Base-Backbone interact. energy: -0.722
local terms energy: -318.080510
where:
bonds (distance) C4'-P energy: -57.721
bonds (distance) P-C4' energy: -56.997
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -95.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -981.153620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.153620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.153620 (E_RNA)
where:
Base-Base interactions energy: -682.373
where: short stacking energy: -291.730
Base-Backbone interact. energy: -0.556
local terms energy: -298.225344
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -62.624
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -84.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -908.043894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.043894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.043894 (E_RNA)
where:
Base-Base interactions energy: -626.503
where: short stacking energy: -277.772
Base-Backbone interact. energy: -1.492
local terms energy: -280.049272
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -61.038
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -80.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -876.277080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.277080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.277080 (E_RNA)
where:
Base-Base interactions energy: -585.093
where: short stacking energy: -260.233
Base-Backbone interact. energy: -1.396
local terms energy: -289.787845
where:
bonds (distance) C4'-P energy: -51.996
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -58.750
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: -71.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -794.360821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.360821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.360821 (E_RNA)
where:
Base-Base interactions energy: -530.032
where: short stacking energy: -239.862
Base-Backbone interact. energy: -2.609
local terms energy: -261.719877
where:
bonds (distance) C4'-P energy: -39.901
bonds (distance) P-C4' energy: -54.342
flat angles C4'-P-C4' energy: -61.691
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -66.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -754.271639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.271639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.271639 (E_RNA)
where:
Base-Base interactions energy: -512.570
where: short stacking energy: -234.232
Base-Backbone interact. energy: -1.958
local terms energy: -239.743114
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -50.077
flat angles C4'-P-C4' energy: -58.069
flat angles P-C4'-P energy: -33.120
tors. eta vs tors. theta energy: -63.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -619.023269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.023269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.023269 (E_RNA)
where:
Base-Base interactions energy: -381.687
where: short stacking energy: -188.043
Base-Backbone interact. energy: 0.628
local terms energy: -237.964661
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -60.532
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -47.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -534.473854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.473854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.473854 (E_RNA)
where:
Base-Base interactions energy: -343.327
where: short stacking energy: -151.982
Base-Backbone interact. energy: -0.870
local terms energy: -190.276916
where:
bonds (distance) C4'-P energy: -40.995
bonds (distance) P-C4' energy: -49.633
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -27.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -371.245553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.245553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.245553 (E_RNA)
where:
Base-Base interactions energy: -227.392
where: short stacking energy: -128.485
Base-Backbone interact. energy: 5.711
local terms energy: -149.564328
where:
bonds (distance) C4'-P energy: -39.261
bonds (distance) P-C4' energy: -38.539
flat angles C4'-P-C4' energy: -47.651
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -458.142045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.142045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.142045 (E_RNA)
where:
Base-Base interactions energy: -273.029
where: short stacking energy: -141.675
Base-Backbone interact. energy: -0.604
local terms energy: -184.509399
where:
bonds (distance) C4'-P energy: -41.883
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -40.848
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -990.607120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.607120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.607120 (E_RNA)
where:
Base-Base interactions energy: -657.169
where: short stacking energy: -296.563
Base-Backbone interact. energy: -0.917
local terms energy: -332.521829
where:
bonds (distance) C4'-P energy: -58.980
bonds (distance) P-C4' energy: -68.347
flat angles C4'-P-C4' energy: -64.117
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -94.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -953.270220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.270220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.270220 (E_RNA)
where:
Base-Base interactions energy: -656.179
where: short stacking energy: -282.909
Base-Backbone interact. energy: -0.676
local terms energy: -296.415521
where:
bonds (distance) C4'-P energy: -47.766
bonds (distance) P-C4' energy: -60.301
flat angles C4'-P-C4' energy: -55.454
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -89.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -929.439849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.439849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.439849 (E_RNA)
where:
Base-Base interactions energy: -640.022
where: short stacking energy: -259.488
Base-Backbone interact. energy: -0.530
local terms energy: -288.888691
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -57.620
flat angles C4'-P-C4' energy: -57.847
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -81.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -865.218645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.218645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.218645 (E_RNA)
where:
Base-Base interactions energy: -583.781
where: short stacking energy: -273.232
Base-Backbone interact. energy: -0.522
local terms energy: -280.915756
where:
bonds (distance) C4'-P energy: -48.697
bonds (distance) P-C4' energy: -54.586
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -82.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -820.619024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.619024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.619024 (E_RNA)
where:
Base-Base interactions energy: -550.619
where: short stacking energy: -233.268
Base-Backbone interact. energy: -1.343
local terms energy: -268.656145
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -56.124
flat angles C4'-P-C4' energy: -49.744
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -73.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -764.660491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.660491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.660491 (E_RNA)
where:
Base-Base interactions energy: -506.415
where: short stacking energy: -206.091
Base-Backbone interact. energy: -1.153
local terms energy: -257.092811
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -45.351
flat angles C4'-P-C4' energy: -55.182
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -56.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -646.672429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.672429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.672429 (E_RNA)
where:
Base-Base interactions energy: -396.765
where: short stacking energy: -184.037
Base-Backbone interact. energy: -0.644
local terms energy: -249.263513
where:
bonds (distance) C4'-P energy: -55.647
bonds (distance) P-C4' energy: -63.300
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: -40.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -533.009383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.009383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.009383 (E_RNA)
where:
Base-Base interactions energy: -332.529
where: short stacking energy: -158.124
Base-Backbone interact. energy: -0.129
local terms energy: -200.352023
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -392.951039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.951039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.951039 (E_RNA)
where:
Base-Base interactions energy: -223.143
where: short stacking energy: -109.713
Base-Backbone interact. energy: -1.934
local terms energy: -167.873294
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -51.212
flat angles C4'-P-C4' energy: -42.518
flat angles P-C4'-P energy: -28.085
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -400.801719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.801719 (E_RNA)
where:
Base-Base interactions energy: -226.711
where: short stacking energy: -115.829
Base-Backbone interact. energy: -0.949
local terms energy: -173.141592
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -974.747397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.747397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.747397 (E_RNA)
where:
Base-Base interactions energy: -669.297
where: short stacking energy: -287.936
Base-Backbone interact. energy: 0.173
local terms energy: -305.622982
where:
bonds (distance) C4'-P energy: -53.381
bonds (distance) P-C4' energy: -60.725
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -84.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -980.244947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.244947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.244947 (E_RNA)
where:
Base-Base interactions energy: -674.412
where: short stacking energy: -310.333
Base-Backbone interact. energy: -1.181
local terms energy: -304.652399
where:
bonds (distance) C4'-P energy: -54.774
bonds (distance) P-C4' energy: -52.858
flat angles C4'-P-C4' energy: -65.451
flat angles P-C4'-P energy: -39.341
tors. eta vs tors. theta energy: -92.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -932.361216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.361216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.361216 (E_RNA)
where:
Base-Base interactions energy: -650.620
where: short stacking energy: -271.140
Base-Backbone interact. energy: 0.665
local terms energy: -282.406429
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -51.059
flat angles C4'-P-C4' energy: -64.091
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -77.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -866.075339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.075339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.075339 (E_RNA)
where:
Base-Base interactions energy: -591.433
where: short stacking energy: -264.103
Base-Backbone interact. energy: -1.220
local terms energy: -273.423015
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -56.616
flat angles P-C4'-P energy: -30.788
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -817.003761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.003761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.003761 (E_RNA)
where:
Base-Base interactions energy: -557.038
where: short stacking energy: -241.396
Base-Backbone interact. energy: -0.320
local terms energy: -259.645732
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -55.398
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -63.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -785.284336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.284336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.284336 (E_RNA)
where:
Base-Base interactions energy: -530.104
where: short stacking energy: -229.043
Base-Backbone interact. energy: -0.598
local terms energy: -254.582530
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -42.444
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -67.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -646.969250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.969250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.969250 (E_RNA)
where:
Base-Base interactions energy: -400.475
where: short stacking energy: -187.194
Base-Backbone interact. energy: 0.315
local terms energy: -246.808783
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -56.682
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -481.407472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.407472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.407472 (E_RNA)
where:
Base-Base interactions energy: -285.931
where: short stacking energy: -141.705
Base-Backbone interact. energy: 0.924
local terms energy: -196.400080
where:
bonds (distance) C4'-P energy: -53.810
bonds (distance) P-C4' energy: -55.029
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -30.533
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -407.463023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.463023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.463023 (E_RNA)
where:
Base-Base interactions energy: -224.236
where: short stacking energy: -109.366
Base-Backbone interact. energy: -1.029
local terms energy: -182.198195
where:
bonds (distance) C4'-P energy: -42.727
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -47.279
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -377.761679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.761679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.761679 (E_RNA)
where:
Base-Base interactions energy: -181.477
where: short stacking energy: -104.421
Base-Backbone interact. energy: -0.401
local terms energy: -195.884093
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -58.327
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -29.442
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -983.644558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.644558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.644558 (E_RNA)
where:
Base-Base interactions energy: -672.449
where: short stacking energy: -287.100
Base-Backbone interact. energy: -1.823
local terms energy: -309.372898
where:
bonds (distance) C4'-P energy: -56.532
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -52.824
tors. eta vs tors. theta energy: -88.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -993.837652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.837652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.837652 (E_RNA)
where:
Base-Base interactions energy: -681.277
where: short stacking energy: -310.054
Base-Backbone interact. energy: -0.503
local terms energy: -312.057407
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -58.100
flat angles C4'-P-C4' energy: -66.013
flat angles P-C4'-P energy: -38.030
tors. eta vs tors. theta energy: -102.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -938.975038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.975038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.975038 (E_RNA)
where:
Base-Base interactions energy: -644.688
where: short stacking energy: -264.902
Base-Backbone interact. energy: -1.867
local terms energy: -292.420649
where:
bonds (distance) C4'-P energy: -54.384
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -69.568
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -78.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -891.947248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.947248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.947248 (E_RNA)
where:
Base-Base interactions energy: -613.523
where: short stacking energy: -266.779
Base-Backbone interact. energy: -0.726
local terms energy: -277.697822
where:
bonds (distance) C4'-P energy: -52.353
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -63.055
flat angles P-C4'-P energy: -37.235
tors. eta vs tors. theta energy: -75.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -846.797295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.797295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.797295 (E_RNA)
where:
Base-Base interactions energy: -574.830
where: short stacking energy: -266.896
Base-Backbone interact. energy: -0.291
local terms energy: -271.675720
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -56.877
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -77.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -792.426514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.426514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.426514 (E_RNA)
where:
Base-Base interactions energy: -524.742
where: short stacking energy: -238.303
Base-Backbone interact. energy: -1.194
local terms energy: -266.490438
where:
bonds (distance) C4'-P energy: -58.529
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -60.068
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -68.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -643.101645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.101645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.101645 (E_RNA)
where:
Base-Base interactions energy: -410.568
where: short stacking energy: -206.770
Base-Backbone interact. energy: -0.986
local terms energy: -231.547306
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -42.471
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -54.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -490.082056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.082056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.082056 (E_RNA)
where:
Base-Base interactions energy: -274.953
where: short stacking energy: -144.851
Base-Backbone interact. energy: -1.225
local terms energy: -213.904320
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -407.570247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.570247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.570247 (E_RNA)
where:
Base-Base interactions energy: -223.331
where: short stacking energy: -114.363
Base-Backbone interact. energy: -0.933
local terms energy: -183.306174
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -319.318341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.318341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.318341 (E_RNA)
where:
Base-Base interactions energy: -157.094
where: short stacking energy: -94.713
Base-Backbone interact. energy: -1.257
local terms energy: -160.967416
where:
bonds (distance) C4'-P energy: -31.020
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -44.071
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -981.235466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.235466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.235466 (E_RNA)
where:
Base-Base interactions energy: -689.864
where: short stacking energy: -299.808
Base-Backbone interact. energy: 3.135
local terms energy: -294.505787
where:
bonds (distance) C4'-P energy: -57.547
bonds (distance) P-C4' energy: -51.775
flat angles C4'-P-C4' energy: -52.932
flat angles P-C4'-P energy: -48.121
tors. eta vs tors. theta energy: -84.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -967.687325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.687325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.687325 (E_RNA)
where:
Base-Base interactions energy: -674.618
where: short stacking energy: -298.654
Base-Backbone interact. energy: -1.711
local terms energy: -291.358288
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -40.677
tors. eta vs tors. theta energy: -94.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -931.629633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.629633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.629633 (E_RNA)
where:
Base-Base interactions energy: -637.045
where: short stacking energy: -292.173
Base-Backbone interact. energy: -0.525
local terms energy: -294.059285
where:
bonds (distance) C4'-P energy: -45.678
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -63.763
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -87.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -895.760794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.760794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.760794 (E_RNA)
where:
Base-Base interactions energy: -627.153
where: short stacking energy: -261.781
Base-Backbone interact. energy: -1.313
local terms energy: -267.295311
where:
bonds (distance) C4'-P energy: -44.037
bonds (distance) P-C4' energy: -48.756
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -77.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -819.197590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.197590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.197590 (E_RNA)
where:
Base-Base interactions energy: -537.356
where: short stacking energy: -241.548
Base-Backbone interact. energy: 1.889
local terms energy: -283.731020
where:
bonds (distance) C4'-P energy: -61.566
bonds (distance) P-C4' energy: -51.352
flat angles C4'-P-C4' energy: -57.234
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -69.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -704.624249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.624249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.624249 (E_RNA)
where:
Base-Base interactions energy: -464.686
where: short stacking energy: -213.990
Base-Backbone interact. energy: -0.559
local terms energy: -239.379165
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -55.208
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -53.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -697.847610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.847610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.847610 (E_RNA)
where:
Base-Base interactions energy: -448.057
where: short stacking energy: -207.752
Base-Backbone interact. energy: -1.449
local terms energy: -248.341711
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -64.645
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -32.670
tors. eta vs tors. theta energy: -49.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -483.194735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.194735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.194735 (E_RNA)
where:
Base-Base interactions energy: -280.725
where: short stacking energy: -142.166
Base-Backbone interact. energy: -1.219
local terms energy: -201.250637
where:
bonds (distance) C4'-P energy: -57.754
bonds (distance) P-C4' energy: -57.780
flat angles C4'-P-C4' energy: -38.890
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -434.274755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.274755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.274755 (E_RNA)
where:
Base-Base interactions energy: -250.568
where: short stacking energy: -119.418
Base-Backbone interact. energy: 0.779
local terms energy: -184.486040
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -53.718
flat angles C4'-P-C4' energy: -38.533
flat angles P-C4'-P energy: -27.338
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -340.711748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.711748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.711748 (E_RNA)
where:
Base-Base interactions energy: -176.730
where: short stacking energy: -101.585
Base-Backbone interact. energy: 0.662
local terms energy: -164.643212
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -989.695072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.695072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.695072 (E_RNA)
where:
Base-Base interactions energy: -677.309
where: short stacking energy: -276.292
Base-Backbone interact. energy: -1.163
local terms energy: -311.223461
where:
bonds (distance) C4'-P energy: -68.030
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -80.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -958.426259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.426259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.426259 (E_RNA)
where:
Base-Base interactions energy: -652.652
where: short stacking energy: -297.241
Base-Backbone interact. energy: 4.127
local terms energy: -309.901082
where:
bonds (distance) C4'-P energy: -59.565
bonds (distance) P-C4' energy: -55.330
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -87.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -951.630373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.630373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.630373 (E_RNA)
where:
Base-Base interactions energy: -645.601
where: short stacking energy: -283.476
Base-Backbone interact. energy: -0.119
local terms energy: -305.910287
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -94.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -896.141331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.141331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.141331 (E_RNA)
where:
Base-Base interactions energy: -615.019
where: short stacking energy: -271.405
Base-Backbone interact. energy: -0.998
local terms energy: -280.124243
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -58.890
flat angles C4'-P-C4' energy: -61.909
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -77.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -837.583804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.583804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.583804 (E_RNA)
where:
Base-Base interactions energy: -543.592
where: short stacking energy: -241.044
Base-Backbone interact. energy: -0.255
local terms energy: -293.736168
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -62.418
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -78.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -750.467095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.467095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.467095 (E_RNA)
where:
Base-Base interactions energy: -497.902
where: short stacking energy: -231.278
Base-Backbone interact. energy: -0.548
local terms energy: -252.016530
where:
bonds (distance) C4'-P energy: -50.743
bonds (distance) P-C4' energy: -53.248
flat angles C4'-P-C4' energy: -47.859
flat angles P-C4'-P energy: -37.588
tors. eta vs tors. theta energy: -62.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -664.764182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.764182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.764182 (E_RNA)
where:
Base-Base interactions energy: -414.609
where: short stacking energy: -189.251
Base-Backbone interact. energy: -1.063
local terms energy: -249.092586
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -60.033
flat angles C4'-P-C4' energy: -57.861
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -463.745628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.745628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.745628 (E_RNA)
where:
Base-Base interactions energy: -279.715
where: short stacking energy: -152.355
Base-Backbone interact. energy: -1.452
local terms energy: -182.578847
where:
bonds (distance) C4'-P energy: -41.800
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -25.718
tors. eta vs tors. theta energy: -20.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -431.932111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.932111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.932111 (E_RNA)
where:
Base-Base interactions energy: -242.827
where: short stacking energy: -114.853
Base-Backbone interact. energy: -0.422
local terms energy: -188.682985
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -54.976
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -341.242992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.242992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.242992 (E_RNA)
where:
Base-Base interactions energy: -195.704
where: short stacking energy: -111.676
Base-Backbone interact. energy: -0.753
local terms energy: -144.785730
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -41.031
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1003.329433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.329433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.329433 (E_RNA)
where:
Base-Base interactions energy: -695.195
where: short stacking energy: -284.355
Base-Backbone interact. energy: 1.458
local terms energy: -309.593275
where:
bonds (distance) C4'-P energy: -54.878
bonds (distance) P-C4' energy: -68.066
flat angles C4'-P-C4' energy: -59.550
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -81.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -948.404810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.404810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.404810 (E_RNA)
where:
Base-Base interactions energy: -643.035
where: short stacking energy: -280.148
Base-Backbone interact. energy: -1.909
local terms energy: -303.460450
where:
bonds (distance) C4'-P energy: -61.478
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -64.133
flat angles P-C4'-P energy: -41.411
tors. eta vs tors. theta energy: -87.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -969.401633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.401633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.401633 (E_RNA)
where:
Base-Base interactions energy: -675.983
where: short stacking energy: -297.618
Base-Backbone interact. energy: 0.956
local terms energy: -294.375205
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -50.089
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -91.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -899.981373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.981373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.981373 (E_RNA)
where:
Base-Base interactions energy: -614.444
where: short stacking energy: -268.158
Base-Backbone interact. energy: 2.413
local terms energy: -287.950678
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -80.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -859.948321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.948321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.948321 (E_RNA)
where:
Base-Base interactions energy: -573.925
where: short stacking energy: -263.522
Base-Backbone interact. energy: -1.144
local terms energy: -284.879214
where:
bonds (distance) C4'-P energy: -53.680
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -61.741
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -80.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -734.563234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.563234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.563234 (E_RNA)
where:
Base-Base interactions energy: -481.625
where: short stacking energy: -218.555
Base-Backbone interact. energy: 2.076
local terms energy: -255.013668
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -62.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -715.485528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.485528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.485528 (E_RNA)
where:
Base-Base interactions energy: -453.895
where: short stacking energy: -191.426
Base-Backbone interact. energy: -1.627
local terms energy: -259.963490
where:
bonds (distance) C4'-P energy: -50.749
bonds (distance) P-C4' energy: -60.011
flat angles C4'-P-C4' energy: -61.604
flat angles P-C4'-P energy: -32.940
tors. eta vs tors. theta energy: -54.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -478.154560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.154560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.154560 (E_RNA)
where:
Base-Base interactions energy: -294.586
where: short stacking energy: -158.465
Base-Backbone interact. energy: 0.472
local terms energy: -184.040295
where:
bonds (distance) C4'-P energy: -54.913
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -461.336770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.336770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.336770 (E_RNA)
where:
Base-Base interactions energy: -276.219
where: short stacking energy: -133.358
Base-Backbone interact. energy: 6.432
local terms energy: -191.549369
where:
bonds (distance) C4'-P energy: -52.721
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -25.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -344.120168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.120168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.120168 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -90.537
Base-Backbone interact. energy: 1.751
local terms energy: -176.679374
where:
bonds (distance) C4'-P energy: -58.841
bonds (distance) P-C4' energy: -52.202
flat angles C4'-P-C4' energy: -34.071
flat angles P-C4'-P energy: -31.273
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -995.160424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.160424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.160424 (E_RNA)
where:
Base-Base interactions energy: -702.647
where: short stacking energy: -279.457
Base-Backbone interact. energy: -1.709
local terms energy: -290.804626
where:
bonds (distance) C4'-P energy: -58.012
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -82.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -954.669849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.669849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.669849 (E_RNA)
where:
Base-Base interactions energy: -654.967
where: short stacking energy: -277.084
Base-Backbone interact. energy: -4.669
local terms energy: -295.033543
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -62.800
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -42.149
tors. eta vs tors. theta energy: -81.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -961.333346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.333346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.333346 (E_RNA)
where:
Base-Base interactions energy: -655.922
where: short stacking energy: -281.678
Base-Backbone interact. energy: -0.209
local terms energy: -305.202455
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -60.790
flat angles C4'-P-C4' energy: -59.402
flat angles P-C4'-P energy: -38.265
tors. eta vs tors. theta energy: -88.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -889.370431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.370431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.370431 (E_RNA)
where:
Base-Base interactions energy: -599.997
where: short stacking energy: -261.260
Base-Backbone interact. energy: -0.472
local terms energy: -288.901610
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -57.989
flat angles C4'-P-C4' energy: -63.328
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -73.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -839.454514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.454514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.454514 (E_RNA)
where:
Base-Base interactions energy: -549.526
where: short stacking energy: -260.356
Base-Backbone interact. energy: -0.394
local terms energy: -289.533744
where:
bonds (distance) C4'-P energy: -49.510
bonds (distance) P-C4' energy: -61.793
flat angles C4'-P-C4' energy: -59.410
flat angles P-C4'-P energy: -42.603
tors. eta vs tors. theta energy: -76.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -749.585093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.585093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.585093 (E_RNA)
where:
Base-Base interactions energy: -502.357
where: short stacking energy: -208.075
Base-Backbone interact. energy: -2.900
local terms energy: -244.328101
where:
bonds (distance) C4'-P energy: -52.765
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -47.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -705.040663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.040663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.040663 (E_RNA)
where:
Base-Base interactions energy: -454.423
where: short stacking energy: -203.057
Base-Backbone interact. energy: -0.583
local terms energy: -250.035218
where:
bonds (distance) C4'-P energy: -40.843
bonds (distance) P-C4' energy: -54.169
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -56.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -535.472075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.472075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.472075 (E_RNA)
where:
Base-Base interactions energy: -331.787
where: short stacking energy: -153.741
Base-Backbone interact. energy: -2.027
local terms energy: -201.658525
where:
bonds (distance) C4'-P energy: -44.674
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -29.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -409.116598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.116598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.116598 (E_RNA)
where:
Base-Base interactions energy: -231.571
where: short stacking energy: -126.187
Base-Backbone interact. energy: 0.485
local terms energy: -178.030922
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -47.630
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -296.880752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.880752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.880752 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -77.004
Base-Backbone interact. energy: 3.335
local terms energy: -150.508312
where:
bonds (distance) C4'-P energy: -44.132
bonds (distance) P-C4' energy: -47.943
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: 1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -993.229341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.229341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.229341 (E_RNA)
where:
Base-Base interactions energy: -680.313
where: short stacking energy: -282.286
Base-Backbone interact. energy: -2.788
local terms energy: -310.127594
where:
bonds (distance) C4'-P energy: -62.294
bonds (distance) P-C4' energy: -61.548
flat angles C4'-P-C4' energy: -60.272
flat angles P-C4'-P energy: -39.546
tors. eta vs tors. theta energy: -86.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -961.425667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.425667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.425667 (E_RNA)
where:
Base-Base interactions energy: -658.699
where: short stacking energy: -286.075
Base-Backbone interact. energy: -0.226
local terms energy: -302.501090
where:
bonds (distance) C4'-P energy: -58.067
bonds (distance) P-C4' energy: -60.480
flat angles C4'-P-C4' energy: -59.346
flat angles P-C4'-P energy: -40.430
tors. eta vs tors. theta energy: -84.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -969.648390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.648390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.648390 (E_RNA)
where:
Base-Base interactions energy: -645.165
where: short stacking energy: -296.431
Base-Backbone interact. energy: -0.908
local terms energy: -323.575809
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -45.041
tors. eta vs tors. theta energy: -97.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -882.183729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.183729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.183729 (E_RNA)
where:
Base-Base interactions energy: -616.404
where: short stacking energy: -279.036
Base-Backbone interact. energy: -1.353
local terms energy: -264.427535
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -46.004
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -86.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -846.272017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.272017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.272017 (E_RNA)
where:
Base-Base interactions energy: -589.153
where: short stacking energy: -269.114
Base-Backbone interact. energy: -0.962
local terms energy: -256.156654
where:
bonds (distance) C4'-P energy: -53.105
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -56.516
flat angles P-C4'-P energy: -39.057
tors. eta vs tors. theta energy: -74.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -779.012135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.012135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.012135 (E_RNA)
where:
Base-Base interactions energy: -529.770
where: short stacking energy: -234.122
Base-Backbone interact. energy: -1.153
local terms energy: -248.089097
where:
bonds (distance) C4'-P energy: -45.004
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -64.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -751.724531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.724531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.724531 (E_RNA)
where:
Base-Base interactions energy: -505.804
where: short stacking energy: -211.362
Base-Backbone interact. energy: -0.311
local terms energy: -245.610047
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -44.079
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -65.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -534.854536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.854536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.854536 (E_RNA)
where:
Base-Base interactions energy: -334.513
where: short stacking energy: -170.271
Base-Backbone interact. energy: 4.226
local terms energy: -204.567924
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -34.487
tors. eta vs tors. theta energy: -33.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -457.386522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.386522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.386522 (E_RNA)
where:
Base-Base interactions energy: -275.609
where: short stacking energy: -134.215
Base-Backbone interact. energy: -1.111
local terms energy: -180.666765
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -40.415
flat angles P-C4'-P energy: -30.369
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -353.801240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.801240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.801240 (E_RNA)
where:
Base-Base interactions energy: -188.169
where: short stacking energy: -96.614
Base-Backbone interact. energy: -0.288
local terms energy: -165.344451
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -49.330
flat angles C4'-P-C4' energy: -40.463
flat angles P-C4'-P energy: -23.759
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -986.216904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.216904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.216904 (E_RNA)
where:
Base-Base interactions energy: -672.262
where: short stacking energy: -292.359
Base-Backbone interact. energy: 1.556
local terms energy: -315.510821
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -56.915
flat angles C4'-P-C4' energy: -72.693
flat angles P-C4'-P energy: -46.594
tors. eta vs tors. theta energy: -83.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -965.115089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.115089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.115089 (E_RNA)
where:
Base-Base interactions energy: -640.098
where: short stacking energy: -289.463
Base-Backbone interact. energy: -2.018
local terms energy: -322.998710
where:
bonds (distance) C4'-P energy: -56.041
bonds (distance) P-C4' energy: -60.188
flat angles C4'-P-C4' energy: -63.331
flat angles P-C4'-P energy: -48.183
tors. eta vs tors. theta energy: -95.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -948.790681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.790681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.790681 (E_RNA)
where:
Base-Base interactions energy: -647.019
where: short stacking energy: -265.040
Base-Backbone interact. energy: -1.501
local terms energy: -300.270505
where:
bonds (distance) C4'-P energy: -53.609
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -46.165
tors. eta vs tors. theta energy: -87.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -881.608426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.608426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.608426 (E_RNA)
where:
Base-Base interactions energy: -589.909
where: short stacking energy: -275.192
Base-Backbone interact. energy: -2.712
local terms energy: -288.986883
where:
bonds (distance) C4'-P energy: -53.128
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -82.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -862.907085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.907085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.907085 (E_RNA)
where:
Base-Base interactions energy: -588.902
where: short stacking energy: -266.750
Base-Backbone interact. energy: -0.214
local terms energy: -273.791472
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -60.371
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -83.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -757.114556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.114556 (E_RNA)
where:
Base-Base interactions energy: -503.345
where: short stacking energy: -221.424
Base-Backbone interact. energy: 0.995
local terms energy: -254.764427
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -55.946
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -726.432480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.432480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.432480 (E_RNA)
where:
Base-Base interactions energy: -479.382
where: short stacking energy: -214.376
Base-Backbone interact. energy: -1.960
local terms energy: -245.089783
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -58.550
flat angles C4'-P-C4' energy: -62.948
flat angles P-C4'-P energy: -24.129
tors. eta vs tors. theta energy: -54.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -488.639823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.639823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.639823 (E_RNA)
where:
Base-Base interactions energy: -305.412
where: short stacking energy: -128.729
Base-Backbone interact. energy: 1.333
local terms energy: -184.560837
where:
bonds (distance) C4'-P energy: -52.705
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -50.258
flat angles P-C4'-P energy: -23.006
tors. eta vs tors. theta energy: -10.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -474.288224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.288224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.288224 (E_RNA)
where:
Base-Base interactions energy: -265.796
where: short stacking energy: -127.006
Base-Backbone interact. energy: -0.786
local terms energy: -207.706778
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -58.148
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -330.799358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.799358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.799358 (E_RNA)
where:
Base-Base interactions energy: -163.697
where: short stacking energy: -76.053
Base-Backbone interact. energy: -2.576
local terms energy: -164.526125
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -43.570
flat angles C4'-P-C4' energy: -41.161
flat angles P-C4'-P energy: -28.733
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -986.852694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.852694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.852694 (E_RNA)
where:
Base-Base interactions energy: -680.534
where: short stacking energy: -306.919
Base-Backbone interact. energy: -0.900
local terms energy: -305.418610
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -64.214
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -88.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -953.871285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.871285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.871285 (E_RNA)
where:
Base-Base interactions energy: -660.584
where: short stacking energy: -281.748
Base-Backbone interact. energy: -1.880
local terms energy: -291.407233
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -60.085
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -77.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -931.600601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.600601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.600601 (E_RNA)
where:
Base-Base interactions energy: -625.393
where: short stacking energy: -282.184
Base-Backbone interact. energy: -0.343
local terms energy: -305.863956
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -60.059
flat angles C4'-P-C4' energy: -64.895
flat angles P-C4'-P energy: -47.406
tors. eta vs tors. theta energy: -85.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -874.701019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.701019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.701019 (E_RNA)
where:
Base-Base interactions energy: -588.003
where: short stacking energy: -260.157
Base-Backbone interact. energy: -0.865
local terms energy: -285.833203
where:
bonds (distance) C4'-P energy: -50.307
bonds (distance) P-C4' energy: -46.226
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -45.011
tors. eta vs tors. theta energy: -80.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -816.955686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.955686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.955686 (E_RNA)
where:
Base-Base interactions energy: -564.595
where: short stacking energy: -245.336
Base-Backbone interact. energy: -1.888
local terms energy: -250.472597
where:
bonds (distance) C4'-P energy: -39.135
bonds (distance) P-C4' energy: -45.658
flat angles C4'-P-C4' energy: -57.458
flat angles P-C4'-P energy: -29.410
tors. eta vs tors. theta energy: -78.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -799.139264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.139264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.139264 (E_RNA)
where:
Base-Base interactions energy: -544.676
where: short stacking energy: -242.869
Base-Backbone interact. energy: -0.590
local terms energy: -253.873379
where:
bonds (distance) C4'-P energy: -49.222
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -40.028
tors. eta vs tors. theta energy: -60.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -714.491681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.491681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.491681 (E_RNA)
where:
Base-Base interactions energy: -470.129
where: short stacking energy: -228.033
Base-Backbone interact. energy: 0.415
local terms energy: -244.777972
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -66.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -475.589079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.589079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.589079 (E_RNA)
where:
Base-Base interactions energy: -309.863
where: short stacking energy: -139.865
Base-Backbone interact. energy: -0.639
local terms energy: -165.086899
where:
bonds (distance) C4'-P energy: -36.446
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -501.740529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.740529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.740529 (E_RNA)
where:
Base-Base interactions energy: -282.937
where: short stacking energy: -141.743
Base-Backbone interact. energy: -0.859
local terms energy: -217.944296
where:
bonds (distance) C4'-P energy: -48.267
bonds (distance) P-C4' energy: -52.758
flat angles C4'-P-C4' energy: -52.976
flat angles P-C4'-P energy: -33.920
tors. eta vs tors. theta energy: -30.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -336.513817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.513817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.513817 (E_RNA)
where:
Base-Base interactions energy: -156.497
where: short stacking energy: -79.940
Base-Backbone interact. energy: -0.234
local terms energy: -179.783322
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -48.336
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -995.054494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.054494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.054494 (E_RNA)
where:
Base-Base interactions energy: -669.984
where: short stacking energy: -302.344
Base-Backbone interact. energy: -0.992
local terms energy: -324.078768
where:
bonds (distance) C4'-P energy: -57.722
bonds (distance) P-C4' energy: -60.459
flat angles C4'-P-C4' energy: -62.694
flat angles P-C4'-P energy: -46.492
tors. eta vs tors. theta energy: -96.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -952.203285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.203285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.203285 (E_RNA)
where:
Base-Base interactions energy: -660.341
where: short stacking energy: -278.754
Base-Backbone interact. energy: -1.342
local terms energy: -290.520206
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -56.649
flat angles C4'-P-C4' energy: -59.865
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -77.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -956.383411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.383411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.383411 (E_RNA)
where:
Base-Base interactions energy: -640.431
where: short stacking energy: -287.160
Base-Backbone interact. energy: -1.278
local terms energy: -314.674359
where:
bonds (distance) C4'-P energy: -56.818
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -65.290
flat angles P-C4'-P energy: -47.596
tors. eta vs tors. theta energy: -87.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -878.921564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.921564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.921564 (E_RNA)
where:
Base-Base interactions energy: -584.657
where: short stacking energy: -271.457
Base-Backbone interact. energy: -1.659
local terms energy: -292.604705
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -64.147
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -84.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -829.953906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.953906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.953906 (E_RNA)
where:
Base-Base interactions energy: -568.098
where: short stacking energy: -242.413
Base-Backbone interact. energy: -1.082
local terms energy: -260.774607
where:
bonds (distance) C4'-P energy: -54.973
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -63.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -789.420693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.420693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.420693 (E_RNA)
where:
Base-Base interactions energy: -532.545
where: short stacking energy: -249.963
Base-Backbone interact. energy: -0.521
local terms energy: -256.354966
where:
bonds (distance) C4'-P energy: -41.346
bonds (distance) P-C4' energy: -51.129
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -75.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -697.449095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.449095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.449095 (E_RNA)
where:
Base-Base interactions energy: -464.408
where: short stacking energy: -200.089
Base-Backbone interact. energy: 0.980
local terms energy: -234.021049
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -38.133
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -58.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -552.400186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.400186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.400186 (E_RNA)
where:
Base-Base interactions energy: -339.298
where: short stacking energy: -164.385
Base-Backbone interact. energy: -1.686
local terms energy: -211.416709
where:
bonds (distance) C4'-P energy: -44.072
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -44.704
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -447.523957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.523957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.523957 (E_RNA)
where:
Base-Base interactions energy: -264.065
where: short stacking energy: -128.257
Base-Backbone interact. energy: -0.918
local terms energy: -182.540960
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -50.058
flat angles C4'-P-C4' energy: -45.140
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -312.052486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.052486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.052486 (E_RNA)
where:
Base-Base interactions energy: -157.935
where: short stacking energy: -91.009
Base-Backbone interact. energy: -0.915
local terms energy: -153.202992
where:
bonds (distance) C4'-P energy: -40.377
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -997.496919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.496919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.496919 (E_RNA)
where:
Base-Base interactions energy: -689.498
where: short stacking energy: -293.558
Base-Backbone interact. energy: -2.020
local terms energy: -305.978297
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -57.742
flat angles C4'-P-C4' energy: -68.043
flat angles P-C4'-P energy: -52.121
tors. eta vs tors. theta energy: -77.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -973.745013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.745013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.745013 (E_RNA)
where:
Base-Base interactions energy: -668.175
where: short stacking energy: -293.622
Base-Backbone interact. energy: -0.875
local terms energy: -304.694349
where:
bonds (distance) C4'-P energy: -48.351
bonds (distance) P-C4' energy: -62.821
flat angles C4'-P-C4' energy: -63.952
flat angles P-C4'-P energy: -38.993
tors. eta vs tors. theta energy: -90.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -948.553770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.553770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.553770 (E_RNA)
where:
Base-Base interactions energy: -635.942
where: short stacking energy: -275.414
Base-Backbone interact. energy: -0.968
local terms energy: -311.643386
where:
bonds (distance) C4'-P energy: -58.644
bonds (distance) P-C4' energy: -63.631
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -87.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -863.850037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.850037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.850037 (E_RNA)
where:
Base-Base interactions energy: -583.539
where: short stacking energy: -261.946
Base-Backbone interact. energy: -0.376
local terms energy: -279.934752
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -63.532
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -78.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -829.572107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.572107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.572107 (E_RNA)
where:
Base-Base interactions energy: -571.394
where: short stacking energy: -242.417
Base-Backbone interact. energy: -1.894
local terms energy: -256.284306
where:
bonds (distance) C4'-P energy: -49.015
bonds (distance) P-C4' energy: -52.303
flat angles C4'-P-C4' energy: -59.298
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -67.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -787.306098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.306098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.306098 (E_RNA)
where:
Base-Base interactions energy: -525.857
where: short stacking energy: -234.030
Base-Backbone interact. energy: 0.926
local terms energy: -262.375003
where:
bonds (distance) C4'-P energy: -52.119
bonds (distance) P-C4' energy: -58.685
flat angles C4'-P-C4' energy: -48.302
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: -66.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -709.520836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.520836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.520836 (E_RNA)
where:
Base-Base interactions energy: -465.682
where: short stacking energy: -203.668
Base-Backbone interact. energy: -2.666
local terms energy: -241.172696
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -49.839
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -50.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -492.724127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.724127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.724127 (E_RNA)
where:
Base-Base interactions energy: -274.692
where: short stacking energy: -148.860
Base-Backbone interact. energy: -1.580
local terms energy: -216.452080
where:
bonds (distance) C4'-P energy: -42.673
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -52.883
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -445.743039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.743039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.743039 (E_RNA)
where:
Base-Base interactions energy: -265.728
where: short stacking energy: -131.940
Base-Backbone interact. energy: -4.426
local terms energy: -175.589071
where:
bonds (distance) C4'-P energy: -38.495
bonds (distance) P-C4' energy: -45.384
flat angles C4'-P-C4' energy: -40.859
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -295.080538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.080538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.080538 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -93.679
Base-Backbone interact. energy: -0.139
local terms energy: -140.236981
where:
bonds (distance) C4'-P energy: -49.246
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -40.984
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: 5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -989.904386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.904386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.904386 (E_RNA)
where:
Base-Base interactions energy: -685.715
where: short stacking energy: -273.505
Base-Backbone interact. energy: -0.257
local terms energy: -303.932441
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -56.532
flat angles C4'-P-C4' energy: -61.926
flat angles P-C4'-P energy: -45.636
tors. eta vs tors. theta energy: -82.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -982.181474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.181474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.181474 (E_RNA)
where:
Base-Base interactions energy: -677.208
where: short stacking energy: -303.430
Base-Backbone interact. energy: -0.111
local terms energy: -304.861935
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -51.404
flat angles C4'-P-C4' energy: -56.464
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -95.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -913.429338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.429338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.429338 (E_RNA)
where:
Base-Base interactions energy: -640.324
where: short stacking energy: -280.989
Base-Backbone interact. energy: -0.126
local terms energy: -272.979310
where:
bonds (distance) C4'-P energy: -37.306
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -52.857
flat angles P-C4'-P energy: -46.771
tors. eta vs tors. theta energy: -86.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -873.388263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.388263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.388263 (E_RNA)
where:
Base-Base interactions energy: -590.791
where: short stacking energy: -261.197
Base-Backbone interact. energy: 0.409
local terms energy: -283.006906
where:
bonds (distance) C4'-P energy: -54.679
bonds (distance) P-C4' energy: -50.317
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -76.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -823.897401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.897401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.897401 (E_RNA)
where:
Base-Base interactions energy: -539.750
where: short stacking energy: -250.310
Base-Backbone interact. energy: -3.629
local terms energy: -280.519089
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -58.174
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -71.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -785.952623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.952623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.952623 (E_RNA)
where:
Base-Base interactions energy: -530.611
where: short stacking energy: -230.423
Base-Backbone interact. energy: -1.985
local terms energy: -253.356868
where:
bonds (distance) C4'-P energy: -46.380
bonds (distance) P-C4' energy: -46.020
flat angles C4'-P-C4' energy: -60.415
flat angles P-C4'-P energy: -36.109
tors. eta vs tors. theta energy: -64.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -665.997710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.997710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.997710 (E_RNA)
where:
Base-Base interactions energy: -427.854
where: short stacking energy: -180.516
Base-Backbone interact. energy: -0.401
local terms energy: -237.743430
where:
bonds (distance) C4'-P energy: -39.997
bonds (distance) P-C4' energy: -55.827
flat angles C4'-P-C4' energy: -53.469
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -49.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -499.630131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.630131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.630131 (E_RNA)
where:
Base-Base interactions energy: -305.217
where: short stacking energy: -168.414
Base-Backbone interact. energy: -1.350
local terms energy: -193.062668
where:
bonds (distance) C4'-P energy: -43.448
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -52.957
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -23.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -472.826278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.826278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.826278 (E_RNA)
where:
Base-Base interactions energy: -282.354
where: short stacking energy: -120.841
Base-Backbone interact. energy: -1.110
local terms energy: -189.362299
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -48.476
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -333.158376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.158376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.158376 (E_RNA)
where:
Base-Base interactions energy: -170.880
where: short stacking energy: -108.551
Base-Backbone interact. energy: -0.922
local terms energy: -161.356145
where:
bonds (distance) C4'-P energy: -60.710
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -46.124
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: 3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -990.838342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.838342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.838342 (E_RNA)
where:
Base-Base interactions energy: -696.644
where: short stacking energy: -278.158
Base-Backbone interact. energy: -1.732
local terms energy: -292.461775
where:
bonds (distance) C4'-P energy: -50.271
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -55.319
flat angles P-C4'-P energy: -43.654
tors. eta vs tors. theta energy: -84.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -986.473151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.473151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.473151 (E_RNA)
where:
Base-Base interactions energy: -679.151
where: short stacking energy: -310.573
Base-Backbone interact. energy: -1.348
local terms energy: -305.974337
where:
bonds (distance) C4'-P energy: -55.172
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -59.100
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -96.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -951.160062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.160062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.160062 (E_RNA)
where:
Base-Base interactions energy: -672.809
where: short stacking energy: -290.204
Base-Backbone interact. energy: 0.254
local terms energy: -278.605188
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -51.582
flat angles C4'-P-C4' energy: -56.930
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -82.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -874.944799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.944799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.944799 (E_RNA)
where:
Base-Base interactions energy: -583.213
where: short stacking energy: -265.366
Base-Backbone interact. energy: 0.986
local terms energy: -292.717352
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -51.005
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -47.685
tors. eta vs tors. theta energy: -78.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -838.993352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.993352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.993352 (E_RNA)
where:
Base-Base interactions energy: -561.629
where: short stacking energy: -242.488
Base-Backbone interact. energy: 1.609
local terms energy: -278.973679
where:
bonds (distance) C4'-P energy: -56.681
bonds (distance) P-C4' energy: -51.022
flat angles C4'-P-C4' energy: -60.122
flat angles P-C4'-P energy: -41.543
tors. eta vs tors. theta energy: -69.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -759.139326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.139326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.139326 (E_RNA)
where:
Base-Base interactions energy: -497.454
where: short stacking energy: -218.971
Base-Backbone interact. energy: 5.768
local terms energy: -267.452411
where:
bonds (distance) C4'-P energy: -52.584
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -55.992
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -61.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -703.085738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.085738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.085738 (E_RNA)
where:
Base-Base interactions energy: -465.247
where: short stacking energy: -206.319
Base-Backbone interact. energy: 0.680
local terms energy: -238.518470
where:
bonds (distance) C4'-P energy: -40.719
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -54.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -506.995578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.995578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.995578 (E_RNA)
where:
Base-Base interactions energy: -305.119
where: short stacking energy: -151.829
Base-Backbone interact. energy: -0.802
local terms energy: -201.074274
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -45.157
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -33.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -457.062942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.062942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.062942 (E_RNA)
where:
Base-Base interactions energy: -272.098
where: short stacking energy: -130.455
Base-Backbone interact. energy: -0.733
local terms energy: -184.231388
where:
bonds (distance) C4'-P energy: -34.341
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -48.101
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -347.866399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.866399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.866399 (E_RNA)
where:
Base-Base interactions energy: -179.089
where: short stacking energy: -90.428
Base-Backbone interact. energy: -0.768
local terms energy: -168.009228
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -54.300
flat angles C4'-P-C4' energy: -44.570
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -958.556737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.556737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.556737 (E_RNA)
where:
Base-Base interactions energy: -640.897
where: short stacking energy: -279.082
Base-Backbone interact. energy: 0.316
local terms energy: -317.976469
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -67.102
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -82.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -971.474075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.474075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.474075 (E_RNA)
where:
Base-Base interactions energy: -676.537
where: short stacking energy: -297.824
Base-Backbone interact. energy: -0.251
local terms energy: -294.686396
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -63.661
flat angles P-C4'-P energy: -34.118
tors. eta vs tors. theta energy: -93.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -953.692852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.692852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.692852 (E_RNA)
where:
Base-Base interactions energy: -643.080
where: short stacking energy: -291.491
Base-Backbone interact. energy: -0.803
local terms energy: -309.809635
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -62.031
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -93.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -893.659425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.659425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.659425 (E_RNA)
where:
Base-Base interactions energy: -606.400
where: short stacking energy: -290.595
Base-Backbone interact. energy: 1.896
local terms energy: -289.155422
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -88.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -841.886927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.886927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.886927 (E_RNA)
where:
Base-Base interactions energy: -565.764
where: short stacking energy: -242.572
Base-Backbone interact. energy: 1.447
local terms energy: -277.570723
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -57.910
flat angles C4'-P-C4' energy: -51.782
flat angles P-C4'-P energy: -31.465
tors. eta vs tors. theta energy: -80.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -745.259735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.259735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.259735 (E_RNA)
where:
Base-Base interactions energy: -500.004
where: short stacking energy: -220.199
Base-Backbone interact. energy: -0.298
local terms energy: -244.957792
where:
bonds (distance) C4'-P energy: -54.175
bonds (distance) P-C4' energy: -41.339
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -57.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -732.732469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.732469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.732469 (E_RNA)
where:
Base-Base interactions energy: -483.067
where: short stacking energy: -213.971
Base-Backbone interact. energy: -0.767
local terms energy: -248.898360
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -62.315
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -516.190258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.190258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.190258 (E_RNA)
where:
Base-Base interactions energy: -308.951
where: short stacking energy: -155.614
Base-Backbone interact. energy: -1.973
local terms energy: -205.265974
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -65.569
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -28.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -465.508012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.508012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.508012 (E_RNA)
where:
Base-Base interactions energy: -260.712
where: short stacking energy: -138.470
Base-Backbone interact. energy: -0.380
local terms energy: -204.415795
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -43.959
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -30.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -362.718300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.718300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.718300 (E_RNA)
where:
Base-Base interactions energy: -183.151
where: short stacking energy: -111.786
Base-Backbone interact. energy: -1.845
local terms energy: -177.722334
where:
bonds (distance) C4'-P energy: -46.916
bonds (distance) P-C4' energy: -52.453
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -29.539
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1005.848068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.848068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.848068 (E_RNA)
where:
Base-Base interactions energy: -687.175
where: short stacking energy: -298.173
Base-Backbone interact. energy: -0.447
local terms energy: -318.226386
where:
bonds (distance) C4'-P energy: -59.114
bonds (distance) P-C4' energy: -53.523
flat angles C4'-P-C4' energy: -69.619
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -98.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -968.597875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.597875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.597875 (E_RNA)
where:
Base-Base interactions energy: -667.422
where: short stacking energy: -275.846
Base-Backbone interact. energy: -1.137
local terms energy: -300.038855
where:
bonds (distance) C4'-P energy: -54.349
bonds (distance) P-C4' energy: -62.535
flat angles C4'-P-C4' energy: -63.816
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -83.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -940.260237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.260237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.260237 (E_RNA)
where:
Base-Base interactions energy: -650.990
where: short stacking energy: -292.643
Base-Backbone interact. energy: -0.931
local terms energy: -288.339151
where:
bonds (distance) C4'-P energy: -49.986
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -90.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -879.846573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.846573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.846573 (E_RNA)
where:
Base-Base interactions energy: -601.173
where: short stacking energy: -256.603
Base-Backbone interact. energy: -0.010
local terms energy: -278.664076
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -50.177
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -81.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -843.836968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.836968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.836968 (E_RNA)
where:
Base-Base interactions energy: -583.635
where: short stacking energy: -251.452
Base-Backbone interact. energy: -0.771
local terms energy: -259.430487
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -49.979
flat angles P-C4'-P energy: -31.871
tors. eta vs tors. theta energy: -75.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -748.280118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.280118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.280118 (E_RNA)
where:
Base-Base interactions energy: -495.820
where: short stacking energy: -221.878
Base-Backbone interact. energy: -1.793
local terms energy: -250.666652
where:
bonds (distance) C4'-P energy: -39.600
bonds (distance) P-C4' energy: -51.351
flat angles C4'-P-C4' energy: -64.781
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -64.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -711.758223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.758223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.758223 (E_RNA)
where:
Base-Base interactions energy: -465.075
where: short stacking energy: -220.223
Base-Backbone interact. energy: -0.721
local terms energy: -245.962599
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -54.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -524.309612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.309612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.309612 (E_RNA)
where:
Base-Base interactions energy: -302.213
where: short stacking energy: -144.344
Base-Backbone interact. energy: -0.165
local terms energy: -221.932553
where:
bonds (distance) C4'-P energy: -54.797
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -58.658
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: -33.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -502.463462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.463462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.463462 (E_RNA)
where:
Base-Base interactions energy: -318.453
where: short stacking energy: -152.900
Base-Backbone interact. energy: -0.684
local terms energy: -183.325875
where:
bonds (distance) C4'-P energy: -47.682
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -319.055262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.055262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.055262 (E_RNA)
where:
Base-Base interactions energy: -152.776
where: short stacking energy: -87.240
Base-Backbone interact. energy: -1.148
local terms energy: -165.130998
where:
bonds (distance) C4'-P energy: -37.231
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1002.723687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.723687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.723687 (E_RNA)
where:
Base-Base interactions energy: -679.954
where: short stacking energy: -313.506
Base-Backbone interact. energy: -2.179
local terms energy: -320.591452
where:
bonds (distance) C4'-P energy: -55.231
bonds (distance) P-C4' energy: -54.062
flat angles C4'-P-C4' energy: -67.278
flat angles P-C4'-P energy: -50.286
tors. eta vs tors. theta energy: -93.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -953.033695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.033695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.033695 (E_RNA)
where:
Base-Base interactions energy: -654.669
where: short stacking energy: -292.228
Base-Backbone interact. energy: -0.670
local terms energy: -297.694744
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -55.036
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -90.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -950.003594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.003594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.003594 (E_RNA)
where:
Base-Base interactions energy: -665.394
where: short stacking energy: -277.530
Base-Backbone interact. energy: -0.788
local terms energy: -283.821172
where:
bonds (distance) C4'-P energy: -55.983
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -59.264
flat angles P-C4'-P energy: -44.035
tors. eta vs tors. theta energy: -80.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -892.363324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.363324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.363324 (E_RNA)
where:
Base-Base interactions energy: -618.242
where: short stacking energy: -283.106
Base-Backbone interact. energy: -0.663
local terms energy: -273.458502
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -44.315
flat angles C4'-P-C4' energy: -61.651
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -81.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -856.376906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.376906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.376906 (E_RNA)
where:
Base-Base interactions energy: -588.992
where: short stacking energy: -245.568
Base-Backbone interact. energy: -3.062
local terms energy: -264.322744
where:
bonds (distance) C4'-P energy: -52.393
bonds (distance) P-C4' energy: -54.872
flat angles C4'-P-C4' energy: -52.429
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -70.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -737.543114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.543114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.543114 (E_RNA)
where:
Base-Base interactions energy: -470.216
where: short stacking energy: -226.574
Base-Backbone interact. energy: -0.300
local terms energy: -267.027177
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -51.404
flat angles C4'-P-C4' energy: -52.802
flat angles P-C4'-P energy: -48.264
tors. eta vs tors. theta energy: -61.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -761.278335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.278335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.278335 (E_RNA)
where:
Base-Base interactions energy: -516.354
where: short stacking energy: -225.634
Base-Backbone interact. energy: -0.640
local terms energy: -244.284115
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -46.674
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -56.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -480.798213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.798213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.798213 (E_RNA)
where:
Base-Base interactions energy: -274.245
where: short stacking energy: -130.626
Base-Backbone interact. energy: 4.158
local terms energy: -210.710742
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -46.962
flat angles P-C4'-P energy: -37.046
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -443.115940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.115940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.115940 (E_RNA)
where:
Base-Base interactions energy: -273.917
where: short stacking energy: -106.573
Base-Backbone interact. energy: 7.779
local terms energy: -176.978123
where:
bonds (distance) C4'-P energy: -45.335
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -49.858
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -328.208449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.208449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.208449 (E_RNA)
where:
Base-Base interactions energy: -155.599
where: short stacking energy: -83.839
Base-Backbone interact. energy: 0.796
local terms energy: -173.405625
where:
bonds (distance) C4'-P energy: -58.287
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -37.670
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -996.612783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.612783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.612783 (E_RNA)
where:
Base-Base interactions energy: -689.094
where: short stacking energy: -312.302
Base-Backbone interact. energy: -0.843
local terms energy: -306.676340
where:
bonds (distance) C4'-P energy: -50.626
bonds (distance) P-C4' energy: -57.055
flat angles C4'-P-C4' energy: -61.893
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -95.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -974.164497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.164497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.164497 (E_RNA)
where:
Base-Base interactions energy: -661.235
where: short stacking energy: -290.332
Base-Backbone interact. energy: -0.701
local terms energy: -312.228922
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -57.123
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -44.525
tors. eta vs tors. theta energy: -86.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -937.193740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.193740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.193740 (E_RNA)
where:
Base-Base interactions energy: -659.765
where: short stacking energy: -280.303
Base-Backbone interact. energy: -1.906
local terms energy: -275.522551
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -50.376
flat angles C4'-P-C4' energy: -65.412
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -76.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -886.713855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.713855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.713855 (E_RNA)
where:
Base-Base interactions energy: -623.361
where: short stacking energy: -262.373
Base-Backbone interact. energy: -4.264
local terms energy: -259.089174
where:
bonds (distance) C4'-P energy: -37.070
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -77.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -834.386078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.386078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.386078 (E_RNA)
where:
Base-Base interactions energy: -556.295
where: short stacking energy: -263.685
Base-Backbone interact. energy: -1.716
local terms energy: -276.375339
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -62.374
flat angles P-C4'-P energy: -43.526
tors. eta vs tors. theta energy: -77.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -721.075160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.075160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.075160 (E_RNA)
where:
Base-Base interactions energy: -469.595
where: short stacking energy: -215.988
Base-Backbone interact. energy: -3.075
local terms energy: -248.404915
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -53.436
flat angles C4'-P-C4' energy: -54.288
flat angles P-C4'-P energy: -38.564
tors. eta vs tors. theta energy: -56.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -738.014017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.014017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.014017 (E_RNA)
where:
Base-Base interactions energy: -485.932
where: short stacking energy: -232.875
Base-Backbone interact. energy: 1.447
local terms energy: -253.528818
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -48.507
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -69.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -501.333320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.333320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.333320 (E_RNA)
where:
Base-Base interactions energy: -321.399
where: short stacking energy: -147.616
Base-Backbone interact. energy: 2.660
local terms energy: -182.594227
where:
bonds (distance) C4'-P energy: -45.784
bonds (distance) P-C4' energy: -49.431
flat angles C4'-P-C4' energy: -42.768
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -432.758539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.758539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.758539 (E_RNA)
where:
Base-Base interactions energy: -271.019
where: short stacking energy: -126.240
Base-Backbone interact. energy: -0.765
local terms energy: -160.974778
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -351.879967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.879967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.879967 (E_RNA)
where:
Base-Base interactions energy: -172.313
where: short stacking energy: -102.240
Base-Backbone interact. energy: -1.557
local terms energy: -178.009997
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -57.756
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -992.656236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.656236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.656236 (E_RNA)
where:
Base-Base interactions energy: -675.189
where: short stacking energy: -288.484
Base-Backbone interact. energy: -1.080
local terms energy: -316.386767
where:
bonds (distance) C4'-P energy: -51.962
bonds (distance) P-C4' energy: -62.229
flat angles C4'-P-C4' energy: -64.630
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -92.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -992.018135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.018135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.018135 (E_RNA)
where:
Base-Base interactions energy: -687.320
where: short stacking energy: -292.216
Base-Backbone interact. energy: -1.026
local terms energy: -303.672490
where:
bonds (distance) C4'-P energy: -57.185
bonds (distance) P-C4' energy: -55.408
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -43.410
tors. eta vs tors. theta energy: -82.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -946.206045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.206045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.206045 (E_RNA)
where:
Base-Base interactions energy: -645.842
where: short stacking energy: -270.506
Base-Backbone interact. energy: -0.551
local terms energy: -299.813239
where:
bonds (distance) C4'-P energy: -55.990
bonds (distance) P-C4' energy: -56.987
flat angles C4'-P-C4' energy: -62.506
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -79.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -847.133014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.133014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.133014 (E_RNA)
where:
Base-Base interactions energy: -572.284
where: short stacking energy: -256.610
Base-Backbone interact. energy: -1.054
local terms energy: -273.794992
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -64.344
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -81.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -851.193598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.193598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.193598 (E_RNA)
where:
Base-Base interactions energy: -570.308
where: short stacking energy: -251.664
Base-Backbone interact. energy: -2.289
local terms energy: -278.596408
where:
bonds (distance) C4'-P energy: -51.754
bonds (distance) P-C4' energy: -48.718
flat angles C4'-P-C4' energy: -59.862
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: -77.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -712.137652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.137652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.137652 (E_RNA)
where:
Base-Base interactions energy: -477.977
where: short stacking energy: -209.415
Base-Backbone interact. energy: -1.383
local terms energy: -232.776876
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -53.964
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -671.090255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.090255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.090255 (E_RNA)
where:
Base-Base interactions energy: -437.227
where: short stacking energy: -198.970
Base-Backbone interact. energy: -0.658
local terms energy: -233.205629
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -40.823
flat angles C4'-P-C4' energy: -51.679
flat angles P-C4'-P energy: -34.749
tors. eta vs tors. theta energy: -53.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -546.878658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.878658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.878658 (E_RNA)
where:
Base-Base interactions energy: -336.295
where: short stacking energy: -155.686
Base-Backbone interact. energy: -2.170
local terms energy: -208.413361
where:
bonds (distance) C4'-P energy: -50.364
bonds (distance) P-C4' energy: -44.118
flat angles C4'-P-C4' energy: -48.057
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: -36.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -409.157943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.157943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.157943 (E_RNA)
where:
Base-Base interactions energy: -226.868
where: short stacking energy: -107.017
Base-Backbone interact. energy: -0.191
local terms energy: -182.098416
where:
bonds (distance) C4'-P energy: -51.136
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -41.379
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -344.158558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.158558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.158558 (E_RNA)
where:
Base-Base interactions energy: -188.349
where: short stacking energy: -112.377
Base-Backbone interact. energy: -2.562
local terms energy: -153.247834
where:
bonds (distance) C4'-P energy: -30.808
bonds (distance) P-C4' energy: -51.243
flat angles C4'-P-C4' energy: -40.538
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -990.362825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.362825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.362825 (E_RNA)
where:
Base-Base interactions energy: -672.223
where: short stacking energy: -281.629
Base-Backbone interact. energy: -0.156
local terms energy: -317.983646
where:
bonds (distance) C4'-P energy: -60.086
bonds (distance) P-C4' energy: -64.956
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -34.849
tors. eta vs tors. theta energy: -90.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -963.787597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.787597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.787597 (E_RNA)
where:
Base-Base interactions energy: -668.913
where: short stacking energy: -281.591
Base-Backbone interact. energy: -1.086
local terms energy: -293.788391
where:
bonds (distance) C4'-P energy: -61.645
bonds (distance) P-C4' energy: -50.312
flat angles C4'-P-C4' energy: -61.369
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -77.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -950.883391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.883391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.883391 (E_RNA)
where:
Base-Base interactions energy: -660.802
where: short stacking energy: -292.500
Base-Backbone interact. energy: -1.251
local terms energy: -288.830159
where:
bonds (distance) C4'-P energy: -54.381
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -53.708
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -81.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -857.364763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.364763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.364763 (E_RNA)
where:
Base-Base interactions energy: -579.325
where: short stacking energy: -262.319
Base-Backbone interact. energy: 0.557
local terms energy: -278.596418
where:
bonds (distance) C4'-P energy: -46.655
bonds (distance) P-C4' energy: -59.949
flat angles C4'-P-C4' energy: -50.448
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -78.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -846.616285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.616285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.616285 (E_RNA)
where:
Base-Base interactions energy: -582.604
where: short stacking energy: -252.533
Base-Backbone interact. energy: -1.902
local terms energy: -262.110596
where:
bonds (distance) C4'-P energy: -49.986
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -34.703
tors. eta vs tors. theta energy: -69.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -761.014585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.014585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.014585 (E_RNA)
where:
Base-Base interactions energy: -530.335
where: short stacking energy: -208.186
Base-Backbone interact. energy: -2.427
local terms energy: -228.252856
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -42.777
flat angles C4'-P-C4' energy: -52.251
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -659.599532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.599532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.599532 (E_RNA)
where:
Base-Base interactions energy: -424.909
where: short stacking energy: -204.861
Base-Backbone interact. energy: -0.759
local terms energy: -233.931414
where:
bonds (distance) C4'-P energy: -43.303
bonds (distance) P-C4' energy: -51.899
flat angles C4'-P-C4' energy: -49.047
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -54.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -551.647165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.647165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.647165 (E_RNA)
where:
Base-Base interactions energy: -345.599
where: short stacking energy: -171.022
Base-Backbone interact. energy: 0.394
local terms energy: -206.441756
where:
bonds (distance) C4'-P energy: -47.891
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -39.473
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -37.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -416.870391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.870391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.870391 (E_RNA)
where:
Base-Base interactions energy: -250.455
where: short stacking energy: -113.138
Base-Backbone interact. energy: 1.578
local terms energy: -167.993091
where:
bonds (distance) C4'-P energy: -48.538
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -374.240065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.240065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.240065 (E_RNA)
where:
Base-Base interactions energy: -193.315
where: short stacking energy: -121.858
Base-Backbone interact. energy: 1.536
local terms energy: -182.461091
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -44.044
flat angles C4'-P-C4' energy: -42.294
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -998.217492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.217492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.217492 (E_RNA)
where:
Base-Base interactions energy: -684.183
where: short stacking energy: -293.248
Base-Backbone interact. energy: -0.506
local terms energy: -313.528134
where:
bonds (distance) C4'-P energy: -57.370
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -66.886
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -86.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -965.616653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.616653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.616653 (E_RNA)
where:
Base-Base interactions energy: -661.517
where: short stacking energy: -279.390
Base-Backbone interact. energy: -0.824
local terms energy: -303.275980
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: -82.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -963.580557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.580557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.580557 (E_RNA)
where:
Base-Base interactions energy: -667.161
where: short stacking energy: -293.623
Base-Backbone interact. energy: -1.093
local terms energy: -295.326205
where:
bonds (distance) C4'-P energy: -56.928
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -50.503
tors. eta vs tors. theta energy: -82.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -858.555530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.555530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.555530 (E_RNA)
where:
Base-Base interactions energy: -592.342
where: short stacking energy: -262.881
Base-Backbone interact. energy: -0.191
local terms energy: -266.022331
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -74.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -856.328103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.328103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.328103 (E_RNA)
where:
Base-Base interactions energy: -570.505
where: short stacking energy: -249.655
Base-Backbone interact. energy: -2.012
local terms energy: -283.811253
where:
bonds (distance) C4'-P energy: -55.577
bonds (distance) P-C4' energy: -53.734
flat angles C4'-P-C4' energy: -63.222
flat angles P-C4'-P energy: -38.254
tors. eta vs tors. theta energy: -73.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -758.312816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.312816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.312816 (E_RNA)
where:
Base-Base interactions energy: -536.063
where: short stacking energy: -217.311
Base-Backbone interact. energy: 0.375
local terms energy: -222.624763
where:
bonds (distance) C4'-P energy: -25.186
bonds (distance) P-C4' energy: -49.681
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -33.711
tors. eta vs tors. theta energy: -55.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -654.803705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.803705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.803705 (E_RNA)
where:
Base-Base interactions energy: -406.408
where: short stacking energy: -182.680
Base-Backbone interact. energy: -0.003
local terms energy: -248.392445
where:
bonds (distance) C4'-P energy: -53.970
bonds (distance) P-C4' energy: -53.196
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -32.574
tors. eta vs tors. theta energy: -55.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -558.123808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.123808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.123808 (E_RNA)
where:
Base-Base interactions energy: -360.510
where: short stacking energy: -150.184
Base-Backbone interact. energy: -1.886
local terms energy: -195.728501
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -52.249
flat angles C4'-P-C4' energy: -55.329
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -460.491740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.491740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.491740 (E_RNA)
where:
Base-Base interactions energy: -266.867
where: short stacking energy: -133.939
Base-Backbone interact. energy: -0.701
local terms energy: -192.923821
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -51.980
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -28.955
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -348.689079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.689079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.689079 (E_RNA)
where:
Base-Base interactions energy: -178.607
where: short stacking energy: -88.661
Base-Backbone interact. energy: -1.039
local terms energy: -169.042714
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -31.653
flat angles P-C4'-P energy: -31.084
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -988.952220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.952220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.952220 (E_RNA)
where:
Base-Base interactions energy: -677.239
where: short stacking energy: -307.149
Base-Backbone interact. energy: 0.082
local terms energy: -311.795087
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -64.136
flat angles P-C4'-P energy: -47.930
tors. eta vs tors. theta energy: -94.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -960.416671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.416671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.416671 (E_RNA)
where:
Base-Base interactions energy: -658.584
where: short stacking energy: -283.132
Base-Backbone interact. energy: 1.964
local terms energy: -303.796816
where:
bonds (distance) C4'-P energy: -60.699
bonds (distance) P-C4' energy: -54.109
flat angles C4'-P-C4' energy: -70.138
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -77.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -954.219876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.219876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.219876 (E_RNA)
where:
Base-Base interactions energy: -660.192
where: short stacking energy: -294.578
Base-Backbone interact. energy: -1.313
local terms energy: -292.714878
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -59.890
flat angles P-C4'-P energy: -46.012
tors. eta vs tors. theta energy: -82.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -844.331247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.331247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.331247 (E_RNA)
where:
Base-Base interactions energy: -577.619
where: short stacking energy: -240.614
Base-Backbone interact. energy: -1.025
local terms energy: -265.686853
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -49.592
flat angles C4'-P-C4' energy: -52.983
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -72.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -845.242614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.242614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.242614 (E_RNA)
where:
Base-Base interactions energy: -584.721
where: short stacking energy: -240.708
Base-Backbone interact. energy: -1.097
local terms energy: -259.423964
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -56.345
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -73.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -735.911274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.911274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.911274 (E_RNA)
where:
Base-Base interactions energy: -486.270
where: short stacking energy: -215.397
Base-Backbone interact. energy: -0.082
local terms energy: -249.559132
where:
bonds (distance) C4'-P energy: -43.744
bonds (distance) P-C4' energy: -52.917
flat angles C4'-P-C4' energy: -61.286
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -57.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -650.176762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.176762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.176762 (E_RNA)
where:
Base-Base interactions energy: -410.084
where: short stacking energy: -184.249
Base-Backbone interact. energy: -2.291
local terms energy: -237.801663
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -45.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -630.420106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.420106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.420106 (E_RNA)
where:
Base-Base interactions energy: -399.102
where: short stacking energy: -196.983
Base-Backbone interact. energy: -1.224
local terms energy: -230.094870
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -51.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -486.793237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.793237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.793237 (E_RNA)
where:
Base-Base interactions energy: -300.337
where: short stacking energy: -132.823
Base-Backbone interact. energy: 0.300
local terms energy: -186.757003
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -51.920
flat angles C4'-P-C4' energy: -50.253
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -334.112369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.112369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.112369 (E_RNA)
where:
Base-Base interactions energy: -165.043
where: short stacking energy: -96.501
Base-Backbone interact. energy: -1.179
local terms energy: -167.890659
where:
bonds (distance) C4'-P energy: -45.767
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -48.396
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: 1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -996.565237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.565237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.565237 (E_RNA)
where:
Base-Base interactions energy: -679.900
where: short stacking energy: -303.232
Base-Backbone interact. energy: 0.727
local terms energy: -317.391892
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -58.040
flat angles C4'-P-C4' energy: -66.370
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -89.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -978.364002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.364002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.364002 (E_RNA)
where:
Base-Base interactions energy: -671.925
where: short stacking energy: -280.173
Base-Backbone interact. energy: 0.272
local terms energy: -306.710488
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -61.933
flat angles C4'-P-C4' energy: -59.354
flat angles P-C4'-P energy: -43.423
tors. eta vs tors. theta energy: -91.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -932.255576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.255576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.255576 (E_RNA)
where:
Base-Base interactions energy: -655.430
where: short stacking energy: -281.153
Base-Backbone interact. energy: 1.093
local terms energy: -277.918745
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -50.976
flat angles P-C4'-P energy: -35.001
tors. eta vs tors. theta energy: -80.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -881.457754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.457754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.457754 (E_RNA)
where:
Base-Base interactions energy: -611.327
where: short stacking energy: -237.813
Base-Backbone interact. energy: -1.971
local terms energy: -268.159514
where:
bonds (distance) C4'-P energy: -51.864
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -48.297
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -75.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -826.891250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.891250 (E_RNA)
where:
Base-Base interactions energy: -562.496
where: short stacking energy: -247.652
Base-Backbone interact. energy: -0.963
local terms energy: -263.432157
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -48.407
flat angles C4'-P-C4' energy: -60.253
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -60.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -740.564094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.564094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.564094 (E_RNA)
where:
Base-Base interactions energy: -497.618
where: short stacking energy: -220.298
Base-Backbone interact. energy: -0.496
local terms energy: -242.450058
where:
bonds (distance) C4'-P energy: -49.029
bonds (distance) P-C4' energy: -55.111
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: -57.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -598.424341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.424341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.424341 (E_RNA)
where:
Base-Base interactions energy: -384.871
where: short stacking energy: -183.102
Base-Backbone interact. energy: -2.463
local terms energy: -211.090302
where:
bonds (distance) C4'-P energy: -47.283
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -27.004
tors. eta vs tors. theta energy: -41.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -649.578041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.578041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.578041 (E_RNA)
where:
Base-Base interactions energy: -434.422
where: short stacking energy: -195.378
Base-Backbone interact. energy: 4.705
local terms energy: -219.861028
where:
bonds (distance) C4'-P energy: -53.179
bonds (distance) P-C4' energy: -43.951
flat angles C4'-P-C4' energy: -40.331
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -46.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -493.853978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.853978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.853978 (E_RNA)
where:
Base-Base interactions energy: -287.499
where: short stacking energy: -140.892
Base-Backbone interact. energy: -0.562
local terms energy: -205.792391
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -31.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -325.642614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.642614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.642614 (E_RNA)
where:
Base-Base interactions energy: -161.642
where: short stacking energy: -99.436
Base-Backbone interact. energy: 7.605
local terms energy: -171.605092
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -41.086
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -991.564009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.564009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.564009 (E_RNA)
where:
Base-Base interactions energy: -694.120
where: short stacking energy: -298.733
Base-Backbone interact. energy: -3.861
local terms energy: -293.582500
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -61.637
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -81.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -968.749851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.749851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.749851 (E_RNA)
where:
Base-Base interactions energy: -677.533
where: short stacking energy: -302.161
Base-Backbone interact. energy: 0.375
local terms energy: -291.592475
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -60.855
flat angles P-C4'-P energy: -44.462
tors. eta vs tors. theta energy: -92.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -925.353320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.353320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.353320 (E_RNA)
where:
Base-Base interactions energy: -642.306
where: short stacking energy: -284.729
Base-Backbone interact. energy: -1.133
local terms energy: -281.914241
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -40.573
flat angles C4'-P-C4' energy: -66.245
flat angles P-C4'-P energy: -46.980
tors. eta vs tors. theta energy: -79.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -878.945620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.945620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.945620 (E_RNA)
where:
Base-Base interactions energy: -595.155
where: short stacking energy: -249.728
Base-Backbone interact. energy: -0.638
local terms energy: -283.153039
where:
bonds (distance) C4'-P energy: -53.431
bonds (distance) P-C4' energy: -56.417
flat angles C4'-P-C4' energy: -58.315
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -75.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -847.811743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.811743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.811743 (E_RNA)
where:
Base-Base interactions energy: -583.780
where: short stacking energy: -249.835
Base-Backbone interact. energy: -1.916
local terms energy: -262.115608
where:
bonds (distance) C4'-P energy: -41.467
bonds (distance) P-C4' energy: -56.039
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -65.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -717.890045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.890045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.890045 (E_RNA)
where:
Base-Base interactions energy: -486.938
where: short stacking energy: -208.378
Base-Backbone interact. energy: -0.080
local terms energy: -230.871224
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -55.972
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -49.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -640.444029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.444029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.444029 (E_RNA)
where:
Base-Base interactions energy: -412.884
where: short stacking energy: -191.266
Base-Backbone interact. energy: -0.074
local terms energy: -227.485609
where:
bonds (distance) C4'-P energy: -41.984
bonds (distance) P-C4' energy: -42.958
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -37.490
tors. eta vs tors. theta energy: -49.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -577.509277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.509277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.509277 (E_RNA)
where:
Base-Base interactions energy: -376.154
where: short stacking energy: -167.514
Base-Backbone interact. energy: -0.337
local terms energy: -201.018452
where:
bonds (distance) C4'-P energy: -49.512
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -44.312
flat angles P-C4'-P energy: -22.205
tors. eta vs tors. theta energy: -48.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -363.203762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.203762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.203762 (E_RNA)
where:
Base-Base interactions energy: -190.759
where: short stacking energy: -108.123
Base-Backbone interact. energy: -1.060
local terms energy: -171.385140
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -43.822
flat angles P-C4'-P energy: -23.916
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -436.959244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.959244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.959244 (E_RNA)
where:
Base-Base interactions energy: -276.869
where: short stacking energy: -125.366
Base-Backbone interact. energy: 0.306
local terms energy: -160.396877
where:
bonds (distance) C4'-P energy: -44.034
bonds (distance) P-C4' energy: -41.701
flat angles C4'-P-C4' energy: -39.969
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -983.492692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.492692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.492692 (E_RNA)
where:
Base-Base interactions energy: -676.548
where: short stacking energy: -295.177
Base-Backbone interact. energy: -2.411
local terms energy: -304.533114
where:
bonds (distance) C4'-P energy: -62.351
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -58.586
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -89.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -947.965995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.965995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.965995 (E_RNA)
where:
Base-Base interactions energy: -662.639
where: short stacking energy: -288.492
Base-Backbone interact. energy: 1.321
local terms energy: -286.648134
where:
bonds (distance) C4'-P energy: -50.078
bonds (distance) P-C4' energy: -49.119
flat angles C4'-P-C4' energy: -61.112
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -81.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -967.796840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.796840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.796840 (E_RNA)
where:
Base-Base interactions energy: -667.160
where: short stacking energy: -304.633
Base-Backbone interact. energy: 0.750
local terms energy: -301.387296
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -60.160
flat angles P-C4'-P energy: -41.718
tors. eta vs tors. theta energy: -94.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -860.395359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.395359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.395359 (E_RNA)
where:
Base-Base interactions energy: -569.673
where: short stacking energy: -254.973
Base-Backbone interact. energy: 0.730
local terms energy: -291.451720
where:
bonds (distance) C4'-P energy: -51.849
bonds (distance) P-C4' energy: -57.220
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -81.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -862.950835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.950835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.950835 (E_RNA)
where:
Base-Base interactions energy: -588.569
where: short stacking energy: -258.985
Base-Backbone interact. energy: 0.469
local terms energy: -274.850945
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -50.306
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -74.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -743.717208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.717208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.717208 (E_RNA)
where:
Base-Base interactions energy: -495.833
where: short stacking energy: -209.551
Base-Backbone interact. energy: -1.120
local terms energy: -246.764176
where:
bonds (distance) C4'-P energy: -53.890
bonds (distance) P-C4' energy: -52.192
flat angles C4'-P-C4' energy: -50.812
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -51.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -644.960703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.960703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.960703 (E_RNA)
where:
Base-Base interactions energy: -405.921
where: short stacking energy: -201.285
Base-Backbone interact. energy: -0.601
local terms energy: -238.437965
where:
bonds (distance) C4'-P energy: -46.314
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -47.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -577.715319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.715319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.715319 (E_RNA)
where:
Base-Base interactions energy: -363.632
where: short stacking energy: -173.737
Base-Backbone interact. energy: -0.754
local terms energy: -213.329785
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -49.077
flat angles P-C4'-P energy: -29.752
tors. eta vs tors. theta energy: -44.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -414.514862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.514862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.514862 (E_RNA)
where:
Base-Base interactions energy: -232.310
where: short stacking energy: -128.396
Base-Backbone interact. energy: -0.694
local terms energy: -181.510322
where:
bonds (distance) C4'-P energy: -41.490
bonds (distance) P-C4' energy: -42.664
flat angles C4'-P-C4' energy: -55.315
flat angles P-C4'-P energy: -25.588
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -428.621578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.621578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.621578 (E_RNA)
where:
Base-Base interactions energy: -247.990
where: short stacking energy: -119.511
Base-Backbone interact. energy: -0.198
local terms energy: -180.434560
where:
bonds (distance) C4'-P energy: -39.869
bonds (distance) P-C4' energy: -51.285
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -995.318685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.318685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.318685 (E_RNA)
where:
Base-Base interactions energy: -692.326
where: short stacking energy: -294.376
Base-Backbone interact. energy: -0.083
local terms energy: -302.910025
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -56.273
flat angles P-C4'-P energy: -45.458
tors. eta vs tors. theta energy: -85.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -966.479657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.479657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.479657 (E_RNA)
where:
Base-Base interactions energy: -659.887
where: short stacking energy: -281.451
Base-Backbone interact. energy: -2.453
local terms energy: -304.139343
where:
bonds (distance) C4'-P energy: -61.933
bonds (distance) P-C4' energy: -52.913
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -82.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -964.730565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.730565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.730565 (E_RNA)
where:
Base-Base interactions energy: -666.795
where: short stacking energy: -301.147
Base-Backbone interact. energy: 0.166
local terms energy: -298.101921
where:
bonds (distance) C4'-P energy: -47.255
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -61.097
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: -99.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -865.754604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.754604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.754604 (E_RNA)
where:
Base-Base interactions energy: -586.252
where: short stacking energy: -276.463
Base-Backbone interact. energy: 0.844
local terms energy: -280.346576
where:
bonds (distance) C4'-P energy: -38.893
bonds (distance) P-C4' energy: -59.899
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -46.809
tors. eta vs tors. theta energy: -79.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -850.845046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.845046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.845046 (E_RNA)
where:
Base-Base interactions energy: -590.707
where: short stacking energy: -241.575
Base-Backbone interact. energy: 0.045
local terms energy: -260.183330
where:
bonds (distance) C4'-P energy: -55.011
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -63.559
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -65.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -767.682845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.682845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.682845 (E_RNA)
where:
Base-Base interactions energy: -524.402
where: short stacking energy: -214.697
Base-Backbone interact. energy: -2.427
local terms energy: -240.854161
where:
bonds (distance) C4'-P energy: -49.294
bonds (distance) P-C4' energy: -51.865
flat angles C4'-P-C4' energy: -49.184
flat angles P-C4'-P energy: -29.208
tors. eta vs tors. theta energy: -61.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -655.366800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.366800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.366800 (E_RNA)
where:
Base-Base interactions energy: -436.028
where: short stacking energy: -186.207
Base-Backbone interact. energy: -0.478
local terms energy: -218.861021
where:
bonds (distance) C4'-P energy: -47.511
bonds (distance) P-C4' energy: -50.397
flat angles C4'-P-C4' energy: -45.908
flat angles P-C4'-P energy: -33.826
tors. eta vs tors. theta energy: -41.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -573.541999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.541999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.541999 (E_RNA)
where:
Base-Base interactions energy: -362.655
where: short stacking energy: -172.314
Base-Backbone interact. energy: -0.585
local terms energy: -210.302476
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -37.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -447.798772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.798772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.798772 (E_RNA)
where:
Base-Base interactions energy: -255.932
where: short stacking energy: -117.326
Base-Backbone interact. energy: -0.735
local terms energy: -191.131982
where:
bonds (distance) C4'-P energy: -46.466
bonds (distance) P-C4' energy: -54.097
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -346.229471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.229471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.229471 (E_RNA)
where:
Base-Base interactions energy: -185.269
where: short stacking energy: -97.603
Base-Backbone interact. energy: 0.574
local terms energy: -161.534528
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -42.210
flat angles C4'-P-C4' energy: -43.703
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -998.931431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.931431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.931431 (E_RNA)
where:
Base-Base interactions energy: -694.720
where: short stacking energy: -300.805
Base-Backbone interact. energy: 2.594
local terms energy: -306.805984
where:
bonds (distance) C4'-P energy: -55.003
bonds (distance) P-C4' energy: -51.135
flat angles C4'-P-C4' energy: -65.457
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -90.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -976.815890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.815890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.815890 (E_RNA)
where:
Base-Base interactions energy: -654.034
where: short stacking energy: -291.485
Base-Backbone interact. energy: -2.105
local terms energy: -320.676581
where:
bonds (distance) C4'-P energy: -56.181
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -65.914
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -92.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -939.646716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.646716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.646716 (E_RNA)
where:
Base-Base interactions energy: -658.202
where: short stacking energy: -284.816
Base-Backbone interact. energy: -2.610
local terms energy: -278.834988
where:
bonds (distance) C4'-P energy: -47.116
bonds (distance) P-C4' energy: -48.278
flat angles C4'-P-C4' energy: -62.551
flat angles P-C4'-P energy: -39.872
tors. eta vs tors. theta energy: -81.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -881.298492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.298492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.298492 (E_RNA)
where:
Base-Base interactions energy: -595.070
where: short stacking energy: -254.831
Base-Backbone interact. energy: -1.799
local terms energy: -284.428609
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -54.234
flat angles C4'-P-C4' energy: -64.215
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -73.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -838.508126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.508126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.508126 (E_RNA)
where:
Base-Base interactions energy: -566.018
where: short stacking energy: -250.477
Base-Backbone interact. energy: -1.583
local terms energy: -270.907191
where:
bonds (distance) C4'-P energy: -45.122
bonds (distance) P-C4' energy: -52.368
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -76.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -747.641984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.641984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.641984 (E_RNA)
where:
Base-Base interactions energy: -513.776
where: short stacking energy: -220.217
Base-Backbone interact. energy: -0.464
local terms energy: -233.401628
where:
bonds (distance) C4'-P energy: -43.622
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -30.072
tors. eta vs tors. theta energy: -55.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -653.226726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.226726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.226726 (E_RNA)
where:
Base-Base interactions energy: -424.881
where: short stacking energy: -201.536
Base-Backbone interact. energy: -2.461
local terms energy: -225.883977
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -54.017
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -44.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -574.324796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.324796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.324796 (E_RNA)
where:
Base-Base interactions energy: -351.721
where: short stacking energy: -145.253
Base-Backbone interact. energy: 0.261
local terms energy: -222.864427
where:
bonds (distance) C4'-P energy: -52.322
bonds (distance) P-C4' energy: -46.023
flat angles C4'-P-C4' energy: -58.838
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -454.952241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.952241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.952241 (E_RNA)
where:
Base-Base interactions energy: -272.966
where: short stacking energy: -139.401
Base-Backbone interact. energy: -1.406
local terms energy: -180.579721
where:
bonds (distance) C4'-P energy: -46.161
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -49.620
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -354.808083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.808083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.808083 (E_RNA)
where:
Base-Base interactions energy: -190.971
where: short stacking energy: -100.451
Base-Backbone interact. energy: -1.881
local terms energy: -161.955814
where:
bonds (distance) C4'-P energy: -43.642
bonds (distance) P-C4' energy: -48.621
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1012.826346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.826346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.826346 (E_RNA)
where:
Base-Base interactions energy: -714.505
where: short stacking energy: -319.511
Base-Backbone interact. energy: 0.547
local terms energy: -298.868451
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -64.382
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -90.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -972.507979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.507979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.507979 (E_RNA)
where:
Base-Base interactions energy: -642.929
where: short stacking energy: -303.887
Base-Backbone interact. energy: -0.108
local terms energy: -329.471893
where:
bonds (distance) C4'-P energy: -58.420
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -47.018
tors. eta vs tors. theta energy: -94.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -927.967727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.967727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.967727 (E_RNA)
where:
Base-Base interactions energy: -652.353
where: short stacking energy: -267.007
Base-Backbone interact. energy: -0.216
local terms energy: -275.399120
where:
bonds (distance) C4'-P energy: -53.746
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -76.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -881.660366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.660366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.660366 (E_RNA)
where:
Base-Base interactions energy: -608.477
where: short stacking energy: -258.392
Base-Backbone interact. energy: -1.404
local terms energy: -271.779359
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -64.532
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -74.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -844.629219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.629219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.629219 (E_RNA)
where:
Base-Base interactions energy: -562.513
where: short stacking energy: -260.259
Base-Backbone interact. energy: -1.698
local terms energy: -280.418370
where:
bonds (distance) C4'-P energy: -48.707
bonds (distance) P-C4' energy: -57.956
flat angles C4'-P-C4' energy: -59.904
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: -82.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -697.025763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.025763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.025763 (E_RNA)
where:
Base-Base interactions energy: -456.478
where: short stacking energy: -198.192
Base-Backbone interact. energy: -1.525
local terms energy: -239.022803
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -49.182
flat angles C4'-P-C4' energy: -44.303
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -52.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -636.297483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.297483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.297483 (E_RNA)
where:
Base-Base interactions energy: -399.008
where: short stacking energy: -195.970
Base-Backbone interact. energy: -0.637
local terms energy: -236.652496
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -34.725
tors. eta vs tors. theta energy: -50.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -589.031166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.031166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.031166 (E_RNA)
where:
Base-Base interactions energy: -373.241
where: short stacking energy: -183.286
Base-Backbone interact. energy: -0.346
local terms energy: -215.444102
where:
bonds (distance) C4'-P energy: -39.843
bonds (distance) P-C4' energy: -53.219
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -38.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -425.996045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.996045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.996045 (E_RNA)
where:
Base-Base interactions energy: -258.873
where: short stacking energy: -136.600
Base-Backbone interact. energy: -0.561
local terms energy: -166.561455
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -50.051
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -328.230695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.230695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.230695 (E_RNA)
where:
Base-Base interactions energy: -167.195
where: short stacking energy: -104.309
Base-Backbone interact. energy: -1.870
local terms energy: -159.165602
where:
bonds (distance) C4'-P energy: -40.377
bonds (distance) P-C4' energy: -44.688
flat angles C4'-P-C4' energy: -43.393
flat angles P-C4'-P energy: -20.737
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -992.730576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.730576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.730576 (E_RNA)
where:
Base-Base interactions energy: -681.767
where: short stacking energy: -299.905
Base-Backbone interact. energy: -1.548
local terms energy: -309.415661
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -58.366
flat angles C4'-P-C4' energy: -66.335
flat angles P-C4'-P energy: -44.637
tors. eta vs tors. theta energy: -87.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -969.097281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.097281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.097281 (E_RNA)
where:
Base-Base interactions energy: -653.874
where: short stacking energy: -292.839
Base-Backbone interact. energy: -0.978
local terms energy: -314.244917
where:
bonds (distance) C4'-P energy: -59.938
bonds (distance) P-C4' energy: -57.146
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -91.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -951.639433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.639433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.639433 (E_RNA)
where:
Base-Base interactions energy: -648.769
where: short stacking energy: -271.823
Base-Backbone interact. energy: -1.541
local terms energy: -301.328849
where:
bonds (distance) C4'-P energy: -61.899
bonds (distance) P-C4' energy: -60.013
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -83.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -883.158061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.158061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.158061 (E_RNA)
where:
Base-Base interactions energy: -601.097
where: short stacking energy: -263.827
Base-Backbone interact. energy: 0.615
local terms energy: -282.675945
where:
bonds (distance) C4'-P energy: -54.859
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -62.664
flat angles P-C4'-P energy: -32.116
tors. eta vs tors. theta energy: -79.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -824.583585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.583585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.583585 (E_RNA)
where:
Base-Base interactions energy: -544.994
where: short stacking energy: -247.529
Base-Backbone interact. energy: -0.332
local terms energy: -279.257054
where:
bonds (distance) C4'-P energy: -45.963
bonds (distance) P-C4' energy: -51.756
flat angles C4'-P-C4' energy: -65.368
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -77.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -701.605630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.605630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.605630 (E_RNA)
where:
Base-Base interactions energy: -483.151
where: short stacking energy: -224.465
Base-Backbone interact. energy: -0.780
local terms energy: -217.674716
where:
bonds (distance) C4'-P energy: -46.022
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -51.025
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -54.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -647.253440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.253440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.253440 (E_RNA)
where:
Base-Base interactions energy: -413.480
where: short stacking energy: -194.916
Base-Backbone interact. energy: -0.536
local terms energy: -233.238166
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -44.414
flat angles C4'-P-C4' energy: -52.614
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -538.497637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.497637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.497637 (E_RNA)
where:
Base-Base interactions energy: -355.866
where: short stacking energy: -160.430
Base-Backbone interact. energy: -1.752
local terms energy: -180.879437
where:
bonds (distance) C4'-P energy: -53.621
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -46.552
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -454.673430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.673430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.673430 (E_RNA)
where:
Base-Base interactions energy: -271.789
where: short stacking energy: -126.830
Base-Backbone interact. energy: -0.796
local terms energy: -182.088497
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -49.974
flat angles C4'-P-C4' energy: -38.691
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -353.097344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.097344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.097344 (E_RNA)
where:
Base-Base interactions energy: -190.549
where: short stacking energy: -91.941
Base-Backbone interact. energy: 0.670
local terms energy: -163.218702
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -55.177
flat angles C4'-P-C4' energy: -37.469
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: 3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -994.462226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.462226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.462226 (E_RNA)
where:
Base-Base interactions energy: -676.587
where: short stacking energy: -311.223
Base-Backbone interact. energy: -0.817
local terms energy: -317.057746
where:
bonds (distance) C4'-P energy: -61.009
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -60.150
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -96.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -961.113794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.113794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.113794 (E_RNA)
where:
Base-Base interactions energy: -659.276
where: short stacking energy: -294.946
Base-Backbone interact. energy: -2.981
local terms energy: -298.856833
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -57.989
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -86.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -959.659740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.659740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.659740 (E_RNA)
where:
Base-Base interactions energy: -663.489
where: short stacking energy: -272.316
Base-Backbone interact. energy: 0.839
local terms energy: -297.009412
where:
bonds (distance) C4'-P energy: -48.803
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -62.308
flat angles P-C4'-P energy: -46.211
tors. eta vs tors. theta energy: -82.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -866.158113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.158113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.158113 (E_RNA)
where:
Base-Base interactions energy: -569.270
where: short stacking energy: -257.142
Base-Backbone interact. energy: -1.340
local terms energy: -295.548485
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -64.346
flat angles P-C4'-P energy: -49.913
tors. eta vs tors. theta energy: -77.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -831.775388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.775388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.775388 (E_RNA)
where:
Base-Base interactions energy: -549.865
where: short stacking energy: -253.782
Base-Backbone interact. energy: -1.527
local terms energy: -280.383315
where:
bonds (distance) C4'-P energy: -50.262
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -64.129
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -78.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -732.282604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.282604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.282604 (E_RNA)
where:
Base-Base interactions energy: -469.658
where: short stacking energy: -229.981
Base-Backbone interact. energy: -0.860
local terms energy: -261.764804
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -54.546
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -66.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -661.538224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.538224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.538224 (E_RNA)
where:
Base-Base interactions energy: -432.861
where: short stacking energy: -207.814
Base-Backbone interact. energy: -0.131
local terms energy: -228.546815
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -51.369
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -56.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -537.649762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.649762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.649762 (E_RNA)
where:
Base-Base interactions energy: -325.334
where: short stacking energy: -154.626
Base-Backbone interact. energy: 0.457
local terms energy: -212.773203
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -57.900
flat angles C4'-P-C4' energy: -44.579
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -420.557592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.557592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.557592 (E_RNA)
where:
Base-Base interactions energy: -273.888
where: short stacking energy: -121.032
Base-Backbone interact. energy: 0.598
local terms energy: -147.266941
where:
bonds (distance) C4'-P energy: -44.690
bonds (distance) P-C4' energy: -36.127
flat angles C4'-P-C4' energy: -47.489
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -294.001696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.001696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.001696 (E_RNA)
where:
Base-Base interactions energy: -123.349
where: short stacking energy: -88.659
Base-Backbone interact. energy: -0.247
local terms energy: -170.405501
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -995.773953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.773953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.773953 (E_RNA)
where:
Base-Base interactions energy: -686.918
where: short stacking energy: -320.270
Base-Backbone interact. energy: -0.929
local terms energy: -307.926524
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -55.852
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -100.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -951.688353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.688353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.688353 (E_RNA)
where:
Base-Base interactions energy: -648.152
where: short stacking energy: -290.790
Base-Backbone interact. energy: -1.569
local terms energy: -301.967318
where:
bonds (distance) C4'-P energy: -59.515
bonds (distance) P-C4' energy: -54.324
flat angles C4'-P-C4' energy: -61.344
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -88.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -929.315434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.315434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.315434 (E_RNA)
where:
Base-Base interactions energy: -645.802
where: short stacking energy: -276.988
Base-Backbone interact. energy: -0.232
local terms energy: -283.281656
where:
bonds (distance) C4'-P energy: -46.565
bonds (distance) P-C4' energy: -45.486
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -50.537
tors. eta vs tors. theta energy: -76.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -898.110706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.110706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.110706 (E_RNA)
where:
Base-Base interactions energy: -612.302
where: short stacking energy: -266.201
Base-Backbone interact. energy: -2.265
local terms energy: -283.544045
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -62.109
flat angles P-C4'-P energy: -43.121
tors. eta vs tors. theta energy: -79.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -808.979825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.979825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.979825 (E_RNA)
where:
Base-Base interactions energy: -541.252
where: short stacking energy: -251.420
Base-Backbone interact. energy: -2.516
local terms energy: -265.211718
where:
bonds (distance) C4'-P energy: -50.156
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -80.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -714.951713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.951713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.951713 (E_RNA)
where:
Base-Base interactions energy: -483.542
where: short stacking energy: -200.941
Base-Backbone interact. energy: -1.433
local terms energy: -229.976968
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -50.173
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -51.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -636.957707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.957707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.957707 (E_RNA)
where:
Base-Base interactions energy: -414.315
where: short stacking energy: -201.870
Base-Backbone interact. energy: 3.030
local terms energy: -225.673032
where:
bonds (distance) C4'-P energy: -50.650
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -46.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -529.189637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.189637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.189637 (E_RNA)
where:
Base-Base interactions energy: -338.007
where: short stacking energy: -153.448
Base-Backbone interact. energy: 0.455
local terms energy: -191.637080
where:
bonds (distance) C4'-P energy: -45.300
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -440.890041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.890041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.890041 (E_RNA)
where:
Base-Base interactions energy: -255.702
where: short stacking energy: -124.397
Base-Backbone interact. energy: -0.681
local terms energy: -184.506369
where:
bonds (distance) C4'-P energy: -47.312
bonds (distance) P-C4' energy: -52.753
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -264.432536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.432536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.432536 (E_RNA)
where:
Base-Base interactions energy: -106.506
where: short stacking energy: -92.051
Base-Backbone interact. energy: -1.219
local terms energy: -156.707880
where:
bonds (distance) C4'-P energy: -42.871
bonds (distance) P-C4' energy: -53.603
flat angles C4'-P-C4' energy: -41.554
flat angles P-C4'-P energy: -20.341
tors. eta vs tors. theta energy: 1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -995.790757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.790757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.790757 (E_RNA)
where:
Base-Base interactions energy: -686.738
where: short stacking energy: -319.269
Base-Backbone interact. energy: -0.732
local terms energy: -308.320812
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -50.826
flat angles C4'-P-C4' energy: -62.467
flat angles P-C4'-P energy: -43.120
tors. eta vs tors. theta energy: -95.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -948.067006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.067006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.067006 (E_RNA)
where:
Base-Base interactions energy: -651.353
where: short stacking energy: -276.125
Base-Backbone interact. energy: -0.541
local terms energy: -296.173190
where:
bonds (distance) C4'-P energy: -59.393
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -64.580
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: -80.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -962.970338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.970338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.970338 (E_RNA)
where:
Base-Base interactions energy: -678.014
where: short stacking energy: -296.831
Base-Backbone interact. energy: -0.032
local terms energy: -284.923994
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -51.476
flat angles C4'-P-C4' energy: -62.671
flat angles P-C4'-P energy: -38.245
tors. eta vs tors. theta energy: -80.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -848.492601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.492601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.492601 (E_RNA)
where:
Base-Base interactions energy: -562.751
where: short stacking energy: -253.128
Base-Backbone interact. energy: -0.839
local terms energy: -284.902762
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -51.081
flat angles C4'-P-C4' energy: -66.766
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -789.391559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.391559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.391559 (E_RNA)
where:
Base-Base interactions energy: -548.786
where: short stacking energy: -218.814
Base-Backbone interact. energy: -0.117
local terms energy: -240.489152
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -59.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -673.605550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.605550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.605550 (E_RNA)
where:
Base-Base interactions energy: -452.554
where: short stacking energy: -216.254
Base-Backbone interact. energy: -0.110
local terms energy: -220.941647
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -51.523
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -648.848043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.848043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.848043 (E_RNA)
where:
Base-Base interactions energy: -426.767
where: short stacking energy: -201.982
Base-Backbone interact. energy: -1.029
local terms energy: -221.051856
where:
bonds (distance) C4'-P energy: -39.361
bonds (distance) P-C4' energy: -44.975
flat angles C4'-P-C4' energy: -41.492
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -57.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -527.574708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.574708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.574708 (E_RNA)
where:
Base-Base interactions energy: -327.909
where: short stacking energy: -156.716
Base-Backbone interact. energy: 0.327
local terms energy: -199.993144
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -55.684
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -30.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -478.221501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.221501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.221501 (E_RNA)
where:
Base-Base interactions energy: -286.396
where: short stacking energy: -136.239
Base-Backbone interact. energy: -0.810
local terms energy: -191.015862
where:
bonds (distance) C4'-P energy: -49.720
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -27.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -237.127959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.127959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.127959 (E_RNA)
where:
Base-Base interactions energy: -75.862
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.260
local terms energy: -161.005442
where:
bonds (distance) C4'-P energy: -46.347
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: 4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -990.312158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.312158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.312158 (E_RNA)
where:
Base-Base interactions energy: -681.484
where: short stacking energy: -305.439
Base-Backbone interact. energy: -1.124
local terms energy: -307.703483
where:
bonds (distance) C4'-P energy: -56.646
bonds (distance) P-C4' energy: -48.690
flat angles C4'-P-C4' energy: -59.368
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: -95.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -945.029926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.029926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.029926 (E_RNA)
where:
Base-Base interactions energy: -640.136
where: short stacking energy: -279.783
Base-Backbone interact. energy: -0.438
local terms energy: -304.456080
where:
bonds (distance) C4'-P energy: -64.320
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -64.679
flat angles P-C4'-P energy: -32.121
tors. eta vs tors. theta energy: -84.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -946.745946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.745946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.745946 (E_RNA)
where:
Base-Base interactions energy: -653.853
where: short stacking energy: -283.731
Base-Backbone interact. energy: -2.040
local terms energy: -290.853228
where:
bonds (distance) C4'-P energy: -53.418
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -63.989
flat angles P-C4'-P energy: -44.082
tors. eta vs tors. theta energy: -71.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -853.481155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.481155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.481155 (E_RNA)
where:
Base-Base interactions energy: -572.063
where: short stacking energy: -262.213
Base-Backbone interact. energy: -0.861
local terms energy: -280.556512
where:
bonds (distance) C4'-P energy: -48.867
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -61.851
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: -76.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -810.469827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.469827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.469827 (E_RNA)
where:
Base-Base interactions energy: -531.379
where: short stacking energy: -223.544
Base-Backbone interact. energy: -1.000
local terms energy: -278.091203
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -51.358
flat angles C4'-P-C4' energy: -67.018
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -65.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -705.328453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.328453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.328453 (E_RNA)
where:
Base-Base interactions energy: -465.083
where: short stacking energy: -213.194
Base-Backbone interact. energy: 1.263
local terms energy: -241.508135
where:
bonds (distance) C4'-P energy: -54.537
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -48.772
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -57.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -633.593847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.593847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.593847 (E_RNA)
where:
Base-Base interactions energy: -418.487
where: short stacking energy: -202.771
Base-Backbone interact. energy: -0.364
local terms energy: -214.742807
where:
bonds (distance) C4'-P energy: -40.978
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -49.258
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -48.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -537.760852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.760852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.760852 (E_RNA)
where:
Base-Base interactions energy: -337.789
where: short stacking energy: -148.559
Base-Backbone interact. energy: -0.642
local terms energy: -199.329496
where:
bonds (distance) C4'-P energy: -45.974
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -48.864
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -34.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -447.379224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.379224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.379224 (E_RNA)
where:
Base-Base interactions energy: -262.625
where: short stacking energy: -128.715
Base-Backbone interact. energy: 0.051
local terms energy: -184.804735
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -40.577
flat angles P-C4'-P energy: -28.330
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -264.049903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.049903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.049903 (E_RNA)
where:
Base-Base interactions energy: -107.118
where: short stacking energy: -78.253
Base-Backbone interact. energy: -1.458
local terms energy: -155.473987
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -54.135
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -24.609
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1002.115133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.115133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.115133 (E_RNA)
where:
Base-Base interactions energy: -673.632
where: short stacking energy: -304.168
Base-Backbone interact. energy: -0.543
local terms energy: -327.939912
where:
bonds (distance) C4'-P energy: -60.168
bonds (distance) P-C4' energy: -60.991
flat angles C4'-P-C4' energy: -64.980
flat angles P-C4'-P energy: -46.799
tors. eta vs tors. theta energy: -95.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -956.190884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.190884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.190884 (E_RNA)
where:
Base-Base interactions energy: -657.254
where: short stacking energy: -287.164
Base-Backbone interact. energy: -1.165
local terms energy: -297.771811
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -50.268
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -45.556
tors. eta vs tors. theta energy: -86.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -942.374510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.374510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.374510 (E_RNA)
where:
Base-Base interactions energy: -642.359
where: short stacking energy: -277.244
Base-Backbone interact. energy: 0.676
local terms energy: -300.691141
where:
bonds (distance) C4'-P energy: -54.115
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -81.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -875.722210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.722210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.722210 (E_RNA)
where:
Base-Base interactions energy: -586.012
where: short stacking energy: -270.369
Base-Backbone interact. energy: -0.673
local terms energy: -289.037053
where:
bonds (distance) C4'-P energy: -55.716
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -60.317
flat angles P-C4'-P energy: -34.465
tors. eta vs tors. theta energy: -83.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -829.864630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.864630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.864630 (E_RNA)
where:
Base-Base interactions energy: -563.007
where: short stacking energy: -235.939
Base-Backbone interact. energy: 1.034
local terms energy: -267.891655
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -59.031
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -35.596
tors. eta vs tors. theta energy: -74.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -776.378767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.378767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.378767 (E_RNA)
where:
Base-Base interactions energy: -515.458
where: short stacking energy: -229.926
Base-Backbone interact. energy: -1.207
local terms energy: -259.713093
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -41.502
tors. eta vs tors. theta energy: -59.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -595.989043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.989043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.989043 (E_RNA)
where:
Base-Base interactions energy: -374.064
where: short stacking energy: -156.985
Base-Backbone interact. energy: -1.667
local terms energy: -220.258815
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -57.759
flat angles C4'-P-C4' energy: -51.232
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -40.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -619.468132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.468132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.468132 (E_RNA)
where:
Base-Base interactions energy: -396.732
where: short stacking energy: -194.308
Base-Backbone interact. energy: -1.364
local terms energy: -221.371995
where:
bonds (distance) C4'-P energy: -45.061
bonds (distance) P-C4' energy: -48.068
flat angles C4'-P-C4' energy: -51.043
flat angles P-C4'-P energy: -25.721
tors. eta vs tors. theta energy: -51.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -449.240743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.240743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.240743 (E_RNA)
where:
Base-Base interactions energy: -279.168
where: short stacking energy: -156.917
Base-Backbone interact. energy: -0.874
local terms energy: -169.198671
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -45.996
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -247.070743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.070743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.070743 (E_RNA)
where:
Base-Base interactions energy: -112.789
where: short stacking energy: -72.265
Base-Backbone interact. energy: -2.013
local terms energy: -132.269238
where:
bonds (distance) C4'-P energy: -41.861
bonds (distance) P-C4' energy: -45.591
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: 13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -990.448519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.448519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.448519 (E_RNA)
where:
Base-Base interactions energy: -671.242
where: short stacking energy: -313.246
Base-Backbone interact. energy: -0.438
local terms energy: -318.768916
where:
bonds (distance) C4'-P energy: -57.417
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -66.274
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: -92.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -955.705732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.705732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.705732 (E_RNA)
where:
Base-Base interactions energy: -650.106
where: short stacking energy: -275.435
Base-Backbone interact. energy: -1.704
local terms energy: -303.895615
where:
bonds (distance) C4'-P energy: -55.403
bonds (distance) P-C4' energy: -60.745
flat angles C4'-P-C4' energy: -66.358
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -83.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -950.815438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.815438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.815438 (E_RNA)
where:
Base-Base interactions energy: -653.341
where: short stacking energy: -259.682
Base-Backbone interact. energy: -2.920
local terms energy: -294.555263
where:
bonds (distance) C4'-P energy: -39.225
bonds (distance) P-C4' energy: -60.822
flat angles C4'-P-C4' energy: -61.938
flat angles P-C4'-P energy: -52.108
tors. eta vs tors. theta energy: -80.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -864.287555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.287555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.287555 (E_RNA)
where:
Base-Base interactions energy: -580.864
where: short stacking energy: -246.503
Base-Backbone interact. energy: -0.072
local terms energy: -283.351839
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -50.567
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -47.617
tors. eta vs tors. theta energy: -79.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -813.620111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.620111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.620111 (E_RNA)
where:
Base-Base interactions energy: -548.310
where: short stacking energy: -240.484
Base-Backbone interact. energy: -0.351
local terms energy: -264.958988
where:
bonds (distance) C4'-P energy: -44.335
bonds (distance) P-C4' energy: -49.636
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -70.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -759.051178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.051178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.051178 (E_RNA)
where:
Base-Base interactions energy: -503.182
where: short stacking energy: -219.375
Base-Backbone interact. energy: -0.855
local terms energy: -255.013537
where:
bonds (distance) C4'-P energy: -58.880
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -61.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -601.443466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.443466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.443466 (E_RNA)
where:
Base-Base interactions energy: -368.638
where: short stacking energy: -173.660
Base-Backbone interact. energy: -0.822
local terms energy: -231.984139
where:
bonds (distance) C4'-P energy: -49.417
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -39.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -617.652862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.652862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.652862 (E_RNA)
where:
Base-Base interactions energy: -394.385
where: short stacking energy: -177.774
Base-Backbone interact. energy: 0.607
local terms energy: -223.874362
where:
bonds (distance) C4'-P energy: -47.904
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -56.962
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -40.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -476.693178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.693178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.693178 (E_RNA)
where:
Base-Base interactions energy: -270.165
where: short stacking energy: -155.847
Base-Backbone interact. energy: -0.486
local terms energy: -206.042767
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -51.607
flat angles C4'-P-C4' energy: -48.678
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -34.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -245.087225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.087225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.087225 (E_RNA)
where:
Base-Base interactions energy: -90.533
where: short stacking energy: -86.622
Base-Backbone interact. energy: -0.286
local terms energy: -154.268006
where:
bonds (distance) C4'-P energy: -43.388
bonds (distance) P-C4' energy: -52.532
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -22.771
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -996.003778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.003778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.003778 (E_RNA)
where:
Base-Base interactions energy: -664.622
where: short stacking energy: -291.766
Base-Backbone interact. energy: -1.189
local terms energy: -330.193352
where:
bonds (distance) C4'-P energy: -61.651
bonds (distance) P-C4' energy: -55.488
flat angles C4'-P-C4' energy: -68.160
flat angles P-C4'-P energy: -51.201
tors. eta vs tors. theta energy: -93.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -963.843498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.843498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.843498 (E_RNA)
where:
Base-Base interactions energy: -659.382
where: short stacking energy: -289.682
Base-Backbone interact. energy: -0.711
local terms energy: -303.749818
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -55.141
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -83.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -954.808375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.808375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.808375 (E_RNA)
where:
Base-Base interactions energy: -651.857
where: short stacking energy: -285.321
Base-Backbone interact. energy: -0.243
local terms energy: -302.708292
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -61.269
flat angles P-C4'-P energy: -41.214
tors. eta vs tors. theta energy: -80.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -867.520972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.520972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.520972 (E_RNA)
where:
Base-Base interactions energy: -579.593
where: short stacking energy: -263.874
Base-Backbone interact. energy: -1.279
local terms energy: -286.648711
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -55.841
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -37.674
tors. eta vs tors. theta energy: -84.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -829.763897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.763897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.763897 (E_RNA)
where:
Base-Base interactions energy: -555.193
where: short stacking energy: -241.103
Base-Backbone interact. energy: 0.809
local terms energy: -275.380045
where:
bonds (distance) C4'-P energy: -41.247
bonds (distance) P-C4' energy: -59.235
flat angles C4'-P-C4' energy: -59.912
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -73.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -742.449563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.449563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.449563 (E_RNA)
where:
Base-Base interactions energy: -490.970
where: short stacking energy: -222.938
Base-Backbone interact. energy: 1.724
local terms energy: -253.202686
where:
bonds (distance) C4'-P energy: -50.824
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -60.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -628.343844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.343844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.343844 (E_RNA)
where:
Base-Base interactions energy: -416.314
where: short stacking energy: -188.312
Base-Backbone interact. energy: -1.696
local terms energy: -210.333452
where:
bonds (distance) C4'-P energy: -32.455
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -48.261
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -42.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -587.368538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.368538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.368538 (E_RNA)
where:
Base-Base interactions energy: -373.549
where: short stacking energy: -184.463
Base-Backbone interact. energy: 0.978
local terms energy: -214.798302
where:
bonds (distance) C4'-P energy: -47.361
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -41.297
flat angles P-C4'-P energy: -30.193
tors. eta vs tors. theta energy: -43.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -461.059660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.059660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.059660 (E_RNA)
where:
Base-Base interactions energy: -289.836
where: short stacking energy: -141.877
Base-Backbone interact. energy: 9.442
local terms energy: -180.666067
where:
bonds (distance) C4'-P energy: -52.967
bonds (distance) P-C4' energy: -41.177
flat angles C4'-P-C4' energy: -46.437
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -265.379678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.379678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.379678 (E_RNA)
where:
Base-Base interactions energy: -126.919
where: short stacking energy: -76.903
Base-Backbone interact. energy: 0.342
local terms energy: -138.802758
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -46.740
flat angles C4'-P-C4' energy: -45.133
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: 2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -996.910657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.910657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.910657 (E_RNA)
where:
Base-Base interactions energy: -679.812
where: short stacking energy: -314.106
Base-Backbone interact. energy: -0.240
local terms energy: -316.858947
where:
bonds (distance) C4'-P energy: -57.980
bonds (distance) P-C4' energy: -56.992
flat angles C4'-P-C4' energy: -62.388
flat angles P-C4'-P energy: -46.398
tors. eta vs tors. theta energy: -93.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -968.703038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.703038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.703038 (E_RNA)
where:
Base-Base interactions energy: -686.809
where: short stacking energy: -278.773
Base-Backbone interact. energy: -0.742
local terms energy: -281.151700
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -53.284
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: -77.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -928.917824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.917824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.917824 (E_RNA)
where:
Base-Base interactions energy: -652.168
where: short stacking energy: -270.851
Base-Backbone interact. energy: -0.645
local terms energy: -276.104603
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -42.658
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: -81.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -859.622410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.622410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.622410 (E_RNA)
where:
Base-Base interactions energy: -570.685
where: short stacking energy: -259.990
Base-Backbone interact. energy: -2.014
local terms energy: -286.923622
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -78.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -827.357425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.357425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.357425 (E_RNA)
where:
Base-Base interactions energy: -545.506
where: short stacking energy: -241.578
Base-Backbone interact. energy: 0.461
local terms energy: -282.312207
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -59.803
flat angles C4'-P-C4' energy: -59.750
flat angles P-C4'-P energy: -37.870
tors. eta vs tors. theta energy: -75.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -786.714450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.714450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.714450 (E_RNA)
where:
Base-Base interactions energy: -516.264
where: short stacking energy: -225.331
Base-Backbone interact. energy: -1.079
local terms energy: -269.371333
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -49.173
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -68.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -606.129706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.129706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.129706 (E_RNA)
where:
Base-Base interactions energy: -391.356
where: short stacking energy: -172.095
Base-Backbone interact. energy: -0.681
local terms energy: -214.091815
where:
bonds (distance) C4'-P energy: -42.433
bonds (distance) P-C4' energy: -46.385
flat angles C4'-P-C4' energy: -47.050
flat angles P-C4'-P energy: -35.934
tors. eta vs tors. theta energy: -42.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -535.773738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.773738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.773738 (E_RNA)
where:
Base-Base interactions energy: -325.256
where: short stacking energy: -153.500
Base-Backbone interact. energy: 0.482
local terms energy: -211.000029
where:
bonds (distance) C4'-P energy: -44.971
bonds (distance) P-C4' energy: -56.887
flat angles C4'-P-C4' energy: -44.126
flat angles P-C4'-P energy: -31.970
tors. eta vs tors. theta energy: -33.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -488.080060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.080060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.080060 (E_RNA)
where:
Base-Base interactions energy: -303.659
where: short stacking energy: -142.328
Base-Backbone interact. energy: -1.379
local terms energy: -183.042204
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -266.467614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.467614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.467614 (E_RNA)
where:
Base-Base interactions energy: -114.724
where: short stacking energy: -83.789
Base-Backbone interact. energy: 4.916
local terms energy: -156.658789
where:
bonds (distance) C4'-P energy: -50.769
bonds (distance) P-C4' energy: -42.688
flat angles C4'-P-C4' energy: -33.097
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: 2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -969.555669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.555669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.555669 (E_RNA)
where:
Base-Base interactions energy: -675.646
where: short stacking energy: -288.731
Base-Backbone interact. energy: -0.527
local terms energy: -293.382876
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -50.507
flat angles C4'-P-C4' energy: -68.257
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: -78.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -996.824274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.824274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.824274 (E_RNA)
where:
Base-Base interactions energy: -687.069
where: short stacking energy: -299.493
Base-Backbone interact. energy: -0.736
local terms energy: -309.019629
where:
bonds (distance) C4'-P energy: -49.992
bonds (distance) P-C4' energy: -62.292
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -44.496
tors. eta vs tors. theta energy: -90.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -932.810398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.810398 (E_RNA)
where:
Base-Base interactions energy: -650.083
where: short stacking energy: -288.127
Base-Backbone interact. energy: -0.135
local terms energy: -282.592366
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -56.295
flat angles C4'-P-C4' energy: -61.860
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -81.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -874.848661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.848661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.848661 (E_RNA)
where:
Base-Base interactions energy: -576.464
where: short stacking energy: -270.366
Base-Backbone interact. energy: -0.432
local terms energy: -297.952305
where:
bonds (distance) C4'-P energy: -50.872
bonds (distance) P-C4' energy: -57.548
flat angles C4'-P-C4' energy: -65.610
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -83.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -859.853501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.853501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.853501 (E_RNA)
where:
Base-Base interactions energy: -581.624
where: short stacking energy: -259.642
Base-Backbone interact. energy: -2.691
local terms energy: -275.538501
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -46.556
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -79.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -776.073517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.073517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.073517 (E_RNA)
where:
Base-Base interactions energy: -523.149
where: short stacking energy: -223.395
Base-Backbone interact. energy: -0.003
local terms energy: -252.921592
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -58.895
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -27.165
tors. eta vs tors. theta energy: -64.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -621.148088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.148088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.148088 (E_RNA)
where:
Base-Base interactions energy: -391.442
where: short stacking energy: -188.512
Base-Backbone interact. energy: -0.500
local terms energy: -229.206211
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -54.530
flat angles C4'-P-C4' energy: -50.493
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -43.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -557.280692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.280692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.280692 (E_RNA)
where:
Base-Base interactions energy: -348.594
where: short stacking energy: -166.815
Base-Backbone interact. energy: -1.194
local terms energy: -207.492634
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -47.000
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -479.180700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.180700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.180700 (E_RNA)
where:
Base-Base interactions energy: -294.079
where: short stacking energy: -143.070
Base-Backbone interact. energy: -0.589
local terms energy: -184.512397
where:
bonds (distance) C4'-P energy: -46.097
bonds (distance) P-C4' energy: -44.531
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -27.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -259.081027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.081027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.081027 (E_RNA)
where:
Base-Base interactions energy: -118.215
where: short stacking energy: -86.637
Base-Backbone interact. energy: 3.975
local terms energy: -144.840160
where:
bonds (distance) C4'-P energy: -40.266
bonds (distance) P-C4' energy: -56.068
flat angles C4'-P-C4' energy: -37.540
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: 10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -989.133898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.133898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.133898 (E_RNA)
where:
Base-Base interactions energy: -682.736
where: short stacking energy: -272.072
Base-Backbone interact. energy: -1.111
local terms energy: -305.286518
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -53.930
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -50.567
tors. eta vs tors. theta energy: -76.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -973.432743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.432743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.432743 (E_RNA)
where:
Base-Base interactions energy: -660.978
where: short stacking energy: -290.200
Base-Backbone interact. energy: -1.074
local terms energy: -311.379806
where:
bonds (distance) C4'-P energy: -51.236
bonds (distance) P-C4' energy: -54.359
flat angles C4'-P-C4' energy: -64.448
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -95.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -947.574293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.574293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.574293 (E_RNA)
where:
Base-Base interactions energy: -630.669
where: short stacking energy: -290.031
Base-Backbone interact. energy: -2.044
local terms energy: -314.861547
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -62.937
flat angles C4'-P-C4' energy: -69.328
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -86.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -883.453692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.453692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.453692 (E_RNA)
where:
Base-Base interactions energy: -591.783
where: short stacking energy: -260.845
Base-Backbone interact. energy: -1.845
local terms energy: -289.825665
where:
bonds (distance) C4'-P energy: -48.331
bonds (distance) P-C4' energy: -55.040
flat angles C4'-P-C4' energy: -62.553
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -78.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -810.682466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.682466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.682466 (E_RNA)
where:
Base-Base interactions energy: -530.644
where: short stacking energy: -236.675
Base-Backbone interact. energy: -0.212
local terms energy: -279.826362
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -49.075
flat angles C4'-P-C4' energy: -61.937
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -76.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -754.779391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.779391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.779391 (E_RNA)
where:
Base-Base interactions energy: -500.149
where: short stacking energy: -228.525
Base-Backbone interact. energy: -0.563
local terms energy: -254.067276
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -60.680
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: -55.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -627.597109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.597109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.597109 (E_RNA)
where:
Base-Base interactions energy: -400.579
where: short stacking energy: -175.755
Base-Backbone interact. energy: -0.621
local terms energy: -226.397428
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -49.476
flat angles C4'-P-C4' energy: -51.005
flat angles P-C4'-P energy: -31.089
tors. eta vs tors. theta energy: -45.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -575.541708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.541708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.541708 (E_RNA)
where:
Base-Base interactions energy: -357.965
where: short stacking energy: -172.339
Base-Backbone interact. energy: -0.942
local terms energy: -216.634945
where:
bonds (distance) C4'-P energy: -50.109
bonds (distance) P-C4' energy: -50.567
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -30.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -467.705252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.705252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.705252 (E_RNA)
where:
Base-Base interactions energy: -282.059
where: short stacking energy: -128.498
Base-Backbone interact. energy: 1.349
local terms energy: -186.995329
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -45.919
flat angles P-C4'-P energy: -29.159
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -253.422607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.422607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.422607 (E_RNA)
where:
Base-Base interactions energy: -90.339
where: short stacking energy: -78.816
Base-Backbone interact. energy: 1.384
local terms energy: -164.467824
where:
bonds (distance) C4'-P energy: -35.276
bonds (distance) P-C4' energy: -55.100
flat angles C4'-P-C4' energy: -49.965
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -990.327519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.327519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.327519 (E_RNA)
where:
Base-Base interactions energy: -682.033
where: short stacking energy: -312.904
Base-Backbone interact. energy: -0.753
local terms energy: -307.541415
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -72.632
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -95.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -965.487590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.487590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.487590 (E_RNA)
where:
Base-Base interactions energy: -691.324
where: short stacking energy: -280.938
Base-Backbone interact. energy: -1.501
local terms energy: -272.662567
where:
bonds (distance) C4'-P energy: -41.229
bonds (distance) P-C4' energy: -57.212
flat angles C4'-P-C4' energy: -64.242
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -74.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -928.229315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.229315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.229315 (E_RNA)
where:
Base-Base interactions energy: -619.107
where: short stacking energy: -284.196
Base-Backbone interact. energy: -2.139
local terms energy: -306.983162
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -64.599
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -89.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -859.377045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.377045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.377045 (E_RNA)
where:
Base-Base interactions energy: -578.089
where: short stacking energy: -260.303
Base-Backbone interact. energy: -1.145
local terms energy: -280.142807
where:
bonds (distance) C4'-P energy: -45.276
bonds (distance) P-C4' energy: -53.776
flat angles C4'-P-C4' energy: -57.052
flat angles P-C4'-P energy: -41.539
tors. eta vs tors. theta energy: -82.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -842.382157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.382157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.382157 (E_RNA)
where:
Base-Base interactions energy: -561.255
where: short stacking energy: -255.448
Base-Backbone interact. energy: 0.256
local terms energy: -281.383179
where:
bonds (distance) C4'-P energy: -53.061
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -66.132
flat angles P-C4'-P energy: -39.922
tors. eta vs tors. theta energy: -75.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -708.660095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.660095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.660095 (E_RNA)
where:
Base-Base interactions energy: -480.954
where: short stacking energy: -207.517
Base-Backbone interact. energy: -0.320
local terms energy: -227.385401
where:
bonds (distance) C4'-P energy: -55.457
bonds (distance) P-C4' energy: -50.331
flat angles C4'-P-C4' energy: -48.462
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -47.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -684.196741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.196741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.196741 (E_RNA)
where:
Base-Base interactions energy: -438.659
where: short stacking energy: -217.209
Base-Backbone interact. energy: -0.427
local terms energy: -245.111241
where:
bonds (distance) C4'-P energy: -44.592
bonds (distance) P-C4' energy: -60.213
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -53.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -525.175373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.175373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.175373 (E_RNA)
where:
Base-Base interactions energy: -314.264
where: short stacking energy: -141.376
Base-Backbone interact. energy: -1.067
local terms energy: -209.844018
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -31.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -489.758672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.758672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.758672 (E_RNA)
where:
Base-Base interactions energy: -290.842
where: short stacking energy: -144.147
Base-Backbone interact. energy: -1.776
local terms energy: -197.140975
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -43.563
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -240.197155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.197155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.197155 (E_RNA)
where:
Base-Base interactions energy: -81.479
where: short stacking energy: -64.796
Base-Backbone interact. energy: -1.380
local terms energy: -157.337403
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -59.469
flat angles C4'-P-C4' energy: -43.369
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -994.468558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.468558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.468558 (E_RNA)
where:
Base-Base interactions energy: -678.633
where: short stacking energy: -297.635
Base-Backbone interact. energy: -2.181
local terms energy: -313.655161
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: -95.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -980.909438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.909438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.909438 (E_RNA)
where:
Base-Base interactions energy: -691.272
where: short stacking energy: -279.029
Base-Backbone interact. energy: -1.369
local terms energy: -288.268654
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -51.017
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -41.758
tors. eta vs tors. theta energy: -80.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -920.545655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.545655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.545655 (E_RNA)
where:
Base-Base interactions energy: -626.335
where: short stacking energy: -274.371
Base-Backbone interact. energy: -1.176
local terms energy: -293.034613
where:
bonds (distance) C4'-P energy: -50.330
bonds (distance) P-C4' energy: -62.138
flat angles C4'-P-C4' energy: -58.095
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -83.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -842.565621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.565621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.565621 (E_RNA)
where:
Base-Base interactions energy: -566.356
where: short stacking energy: -259.016
Base-Backbone interact. energy: 0.411
local terms energy: -276.620605
where:
bonds (distance) C4'-P energy: -43.889
bonds (distance) P-C4' energy: -54.004
flat angles C4'-P-C4' energy: -57.371
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -77.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -828.545659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.545659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.545659 (E_RNA)
where:
Base-Base interactions energy: -557.130
where: short stacking energy: -244.170
Base-Backbone interact. energy: -1.711
local terms energy: -269.704729
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -47.326
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -70.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -712.436667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.436667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.436667 (E_RNA)
where:
Base-Base interactions energy: -465.685
where: short stacking energy: -192.288
Base-Backbone interact. energy: -0.314
local terms energy: -246.437944
where:
bonds (distance) C4'-P energy: -49.207
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -36.730
tors. eta vs tors. theta energy: -57.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -677.986677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.986677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.986677 (E_RNA)
where:
Base-Base interactions energy: -441.039
where: short stacking energy: -195.006
Base-Backbone interact. energy: -0.013
local terms energy: -236.934434
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -46.164
flat angles C4'-P-C4' energy: -55.549
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -48.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -497.402386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.402386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.402386 (E_RNA)
where:
Base-Base interactions energy: -294.195
where: short stacking energy: -129.733
Base-Backbone interact. energy: -0.346
local terms energy: -202.862055
where:
bonds (distance) C4'-P energy: -53.581
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -22.849
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -442.180254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.180254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.180254 (E_RNA)
where:
Base-Base interactions energy: -258.022
where: short stacking energy: -127.960
Base-Backbone interact. energy: -0.972
local terms energy: -183.186355
where:
bonds (distance) C4'-P energy: -53.226
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -42.107
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -11.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -280.568114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.568114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.568114 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -94.870
Base-Backbone interact. energy: 5.450
local terms energy: -168.071617
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -46.305
flat angles C4'-P-C4' energy: -48.087
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1001.988244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.988244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.988244 (E_RNA)
where:
Base-Base interactions energy: -705.845
where: short stacking energy: -293.312
Base-Backbone interact. energy: -0.951
local terms energy: -295.192336
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -53.603
flat angles C4'-P-C4' energy: -65.511
flat angles P-C4'-P energy: -44.359
tors. eta vs tors. theta energy: -76.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -978.671443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.671443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.671443 (E_RNA)
where:
Base-Base interactions energy: -670.831
where: short stacking energy: -295.671
Base-Backbone interact. energy: -0.941
local terms energy: -306.899411
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -63.545
flat angles P-C4'-P energy: -44.244
tors. eta vs tors. theta energy: -93.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -920.756337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.756337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.756337 (E_RNA)
where:
Base-Base interactions energy: -612.095
where: short stacking energy: -270.516
Base-Backbone interact. energy: -1.119
local terms energy: -307.542429
where:
bonds (distance) C4'-P energy: -53.348
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -84.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -865.011917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.011917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.011917 (E_RNA)
where:
Base-Base interactions energy: -576.779
where: short stacking energy: -257.663
Base-Backbone interact. energy: -0.680
local terms energy: -287.553116
where:
bonds (distance) C4'-P energy: -63.110
bonds (distance) P-C4' energy: -58.986
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -72.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -811.103982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.103982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.103982 (E_RNA)
where:
Base-Base interactions energy: -547.460
where: short stacking energy: -240.221
Base-Backbone interact. energy: 0.789
local terms energy: -264.433263
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -53.601
flat angles C4'-P-C4' energy: -54.685
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -68.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -710.660653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.660653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.660653 (E_RNA)
where:
Base-Base interactions energy: -466.487
where: short stacking energy: -209.242
Base-Backbone interact. energy: 2.669
local terms energy: -246.843422
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -54.353
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -53.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -664.221211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.221211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.221211 (E_RNA)
where:
Base-Base interactions energy: -445.150
where: short stacking energy: -183.639
Base-Backbone interact. energy: -0.846
local terms energy: -218.225170
where:
bonds (distance) C4'-P energy: -51.949
bonds (distance) P-C4' energy: -49.842
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -37.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -496.153566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.153566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.153566 (E_RNA)
where:
Base-Base interactions energy: -305.451
where: short stacking energy: -160.360
Base-Backbone interact. energy: 2.497
local terms energy: -193.199504
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -43.234
flat angles P-C4'-P energy: -33.528
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -443.736655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.736655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.736655 (E_RNA)
where:
Base-Base interactions energy: -271.654
where: short stacking energy: -129.395
Base-Backbone interact. energy: -1.703
local terms energy: -170.379636
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -44.399
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -265.379115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.379115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.379115 (E_RNA)
where:
Base-Base interactions energy: -109.625
where: short stacking energy: -90.800
Base-Backbone interact. energy: -0.286
local terms energy: -155.467797
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -52.690
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1001.505603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.505603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.505603 (E_RNA)
where:
Base-Base interactions energy: -709.080
where: short stacking energy: -287.251
Base-Backbone interact. energy: -0.350
local terms energy: -292.075481
where:
bonds (distance) C4'-P energy: -57.567
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -58.749
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -77.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -974.784259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.784259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.784259 (E_RNA)
where:
Base-Base interactions energy: -673.896
where: short stacking energy: -287.845
Base-Backbone interact. energy: -2.019
local terms energy: -298.868762
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -55.709
flat angles C4'-P-C4' energy: -58.895
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -88.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -933.483521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.483521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.483521 (E_RNA)
where:
Base-Base interactions energy: -638.978
where: short stacking energy: -292.661
Base-Backbone interact. energy: 0.285
local terms energy: -294.789919
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -84.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -882.007073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.007073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.007073 (E_RNA)
where:
Base-Base interactions energy: -600.725
where: short stacking energy: -251.119
Base-Backbone interact. energy: -0.750
local terms energy: -280.532967
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -858.356132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.356132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.356132 (E_RNA)
where:
Base-Base interactions energy: -572.501
where: short stacking energy: -250.004
Base-Backbone interact. energy: -2.050
local terms energy: -283.805611
where:
bonds (distance) C4'-P energy: -46.133
bonds (distance) P-C4' energy: -63.278
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -36.379
tors. eta vs tors. theta energy: -78.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -663.600523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.600523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.600523 (E_RNA)
where:
Base-Base interactions energy: -447.253
where: short stacking energy: -192.573
Base-Backbone interact. energy: -2.106
local terms energy: -214.241758
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -51.565
flat angles C4'-P-C4' energy: -41.866
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -37.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -726.132202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.132202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.132202 (E_RNA)
where:
Base-Base interactions energy: -487.456
where: short stacking energy: -225.340
Base-Backbone interact. energy: -0.460
local terms energy: -238.215812
where:
bonds (distance) C4'-P energy: -46.097
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -53.317
flat angles P-C4'-P energy: -24.420
tors. eta vs tors. theta energy: -61.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -488.480168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.480168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.480168 (E_RNA)
where:
Base-Base interactions energy: -300.223
where: short stacking energy: -158.619
Base-Backbone interact. energy: -1.675
local terms energy: -186.581925
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -61.049
flat angles C4'-P-C4' energy: -41.757
flat angles P-C4'-P energy: -24.007
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -413.379070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.379070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.379070 (E_RNA)
where:
Base-Base interactions energy: -221.919
where: short stacking energy: -111.591
Base-Backbone interact. energy: 1.968
local terms energy: -193.428159
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -56.912
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -32.662
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -251.370793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.370793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.370793 (E_RNA)
where:
Base-Base interactions energy: -78.872
where: short stacking energy: -75.758
Base-Backbone interact. energy: 0.877
local terms energy: -173.375920
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -47.461
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -996.241549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.241549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.241549 (E_RNA)
where:
Base-Base interactions energy: -682.159
where: short stacking energy: -302.853
Base-Backbone interact. energy: 0.066
local terms energy: -314.148525
where:
bonds (distance) C4'-P energy: -52.993
bonds (distance) P-C4' energy: -60.580
flat angles C4'-P-C4' energy: -64.640
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -91.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -972.726566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.726566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.726566 (E_RNA)
where:
Base-Base interactions energy: -692.063
where: short stacking energy: -271.335
Base-Backbone interact. energy: -1.883
local terms energy: -278.781122
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -56.428
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -72.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -944.592377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.592377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.592377 (E_RNA)
where:
Base-Base interactions energy: -644.862
where: short stacking energy: -304.433
Base-Backbone interact. energy: -0.159
local terms energy: -299.571269
where:
bonds (distance) C4'-P energy: -53.669
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -63.326
flat angles P-C4'-P energy: -40.435
tors. eta vs tors. theta energy: -90.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -901.557062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.557062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.557062 (E_RNA)
where:
Base-Base interactions energy: -615.969
where: short stacking energy: -274.002
Base-Backbone interact. energy: -2.515
local terms energy: -283.073185
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -56.786
flat angles C4'-P-C4' energy: -56.857
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -80.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -871.501930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.501930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.501930 (E_RNA)
where:
Base-Base interactions energy: -584.179
where: short stacking energy: -255.122
Base-Backbone interact. energy: -1.758
local terms energy: -285.565145
where:
bonds (distance) C4'-P energy: -53.142
bonds (distance) P-C4' energy: -56.598
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -79.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -748.411131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.411131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.411131 (E_RNA)
where:
Base-Base interactions energy: -528.356
where: short stacking energy: -213.449
Base-Backbone interact. energy: 0.769
local terms energy: -220.823921
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -51.003
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: -54.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -736.193130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.193130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.193130 (E_RNA)
where:
Base-Base interactions energy: -469.695
where: short stacking energy: -199.494
Base-Backbone interact. energy: -1.106
local terms energy: -265.391451
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -59.781
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -60.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -511.675874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.675874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.675874 (E_RNA)
where:
Base-Base interactions energy: -295.416
where: short stacking energy: -149.404
Base-Backbone interact. energy: -1.274
local terms energy: -214.985665
where:
bonds (distance) C4'-P energy: -50.829
bonds (distance) P-C4' energy: -50.193
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -39.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -458.145182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.145182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.145182 (E_RNA)
where:
Base-Base interactions energy: -254.582
where: short stacking energy: -137.175
Base-Backbone interact. energy: 0.699
local terms energy: -204.262076
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -44.073
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: -29.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -241.555381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.555381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.555381 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -63.359
Base-Backbone interact. energy: -1.450
local terms energy: -152.682868
where:
bonds (distance) C4'-P energy: -46.106
bonds (distance) P-C4' energy: -48.732
flat angles C4'-P-C4' energy: -43.307
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: 13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -986.057501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.057501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.057501 (E_RNA)
where:
Base-Base interactions energy: -684.241
where: short stacking energy: -304.731
Base-Backbone interact. energy: -0.085
local terms energy: -301.731468
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -63.395
flat angles P-C4'-P energy: -43.759
tors. eta vs tors. theta energy: -90.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -976.730203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.730203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.730203 (E_RNA)
where:
Base-Base interactions energy: -667.074
where: short stacking energy: -297.506
Base-Backbone interact. energy: -1.432
local terms energy: -308.224583
where:
bonds (distance) C4'-P energy: -61.648
bonds (distance) P-C4' energy: -54.717
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -44.223
tors. eta vs tors. theta energy: -85.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -941.537216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.537216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.537216 (E_RNA)
where:
Base-Base interactions energy: -660.457
where: short stacking energy: -276.639
Base-Backbone interact. energy: -1.835
local terms energy: -279.245076
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -67.543
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -81.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -851.809340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.809340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.809340 (E_RNA)
where:
Base-Base interactions energy: -550.733
where: short stacking energy: -249.692
Base-Backbone interact. energy: -1.478
local terms energy: -299.598008
where:
bonds (distance) C4'-P energy: -62.640
bonds (distance) P-C4' energy: -62.969
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -75.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -872.517111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.517111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.517111 (E_RNA)
where:
Base-Base interactions energy: -598.179
where: short stacking energy: -261.904
Base-Backbone interact. energy: -1.367
local terms energy: -272.971725
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -62.486
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -81.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -802.493743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.493743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.493743 (E_RNA)
where:
Base-Base interactions energy: -531.745
where: short stacking energy: -242.495
Base-Backbone interact. energy: -0.606
local terms energy: -270.142396
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -53.256
flat angles C4'-P-C4' energy: -61.961
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -72.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -701.508068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.508068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.508068 (E_RNA)
where:
Base-Base interactions energy: -467.295
where: short stacking energy: -195.880
Base-Backbone interact. energy: -0.919
local terms energy: -233.293756
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -49.715
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -33.545
tors. eta vs tors. theta energy: -50.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -495.230731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.230731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.230731 (E_RNA)
where:
Base-Base interactions energy: -292.153
where: short stacking energy: -126.206
Base-Backbone interact. energy: -0.723
local terms energy: -202.354973
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -45.610
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -451.993952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.993952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.993952 (E_RNA)
where:
Base-Base interactions energy: -257.746
where: short stacking energy: -127.459
Base-Backbone interact. energy: -0.758
local terms energy: -193.490002
where:
bonds (distance) C4'-P energy: -40.861
bonds (distance) P-C4' energy: -54.771
flat angles C4'-P-C4' energy: -41.826
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -239.115346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.115346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.115346 (E_RNA)
where:
Base-Base interactions energy: -96.177
where: short stacking energy: -58.145
Base-Backbone interact. energy: -1.416
local terms energy: -141.522372
where:
bonds (distance) C4'-P energy: -42.401
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -38.987
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: 11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -980.510461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.510461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.510461 (E_RNA)
where:
Base-Base interactions energy: -665.416
where: short stacking energy: -300.039
Base-Backbone interact. energy: -0.586
local terms energy: -314.507962
where:
bonds (distance) C4'-P energy: -60.216
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -89.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -976.922696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.922696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.922696 (E_RNA)
where:
Base-Base interactions energy: -668.272
where: short stacking energy: -295.897
Base-Backbone interact. energy: -0.126
local terms energy: -308.524433
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -56.382
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -95.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -952.509242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.509242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.509242 (E_RNA)
where:
Base-Base interactions energy: -660.392
where: short stacking energy: -273.995
Base-Backbone interact. energy: 4.150
local terms energy: -296.267144
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -57.996
flat angles C4'-P-C4' energy: -66.366
flat angles P-C4'-P energy: -47.292
tors. eta vs tors. theta energy: -74.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -858.263039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.263039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.263039 (E_RNA)
where:
Base-Base interactions energy: -567.699
where: short stacking energy: -254.940
Base-Backbone interact. energy: -1.606
local terms energy: -288.958525
where:
bonds (distance) C4'-P energy: -61.208
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -75.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -850.413671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.413671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.413671 (E_RNA)
where:
Base-Base interactions energy: -578.432
where: short stacking energy: -258.816
Base-Backbone interact. energy: 1.862
local terms energy: -273.843894
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -65.006
flat angles P-C4'-P energy: -45.359
tors. eta vs tors. theta energy: -78.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -825.539106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.539106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.539106 (E_RNA)
where:
Base-Base interactions energy: -568.351
where: short stacking energy: -260.501
Base-Backbone interact. energy: -1.958
local terms energy: -255.230764
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -52.290
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -74.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -674.989437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.989437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.989437 (E_RNA)
where:
Base-Base interactions energy: -443.650
where: short stacking energy: -197.318
Base-Backbone interact. energy: 1.650
local terms energy: -232.989485
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -44.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -503.455804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.455804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.455804 (E_RNA)
where:
Base-Base interactions energy: -303.846
where: short stacking energy: -142.546
Base-Backbone interact. energy: 0.608
local terms energy: -200.218415
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -57.723
flat angles C4'-P-C4' energy: -42.433
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -23.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -438.081341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.081341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.081341 (E_RNA)
where:
Base-Base interactions energy: -254.025
where: short stacking energy: -118.433
Base-Backbone interact. energy: 0.993
local terms energy: -185.049393
where:
bonds (distance) C4'-P energy: -48.362
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -42.932
flat angles P-C4'-P energy: -27.902
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -231.691348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.691348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.691348 (E_RNA)
where:
Base-Base interactions energy: -74.090
where: short stacking energy: -54.474
Base-Backbone interact. energy: 0.491
local terms energy: -158.091711
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -45.866
flat angles C4'-P-C4' energy: -42.077
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: 8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -976.846432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.846432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.846432 (E_RNA)
where:
Base-Base interactions energy: -664.977
where: short stacking energy: -277.240
Base-Backbone interact. energy: -0.377
local terms energy: -311.491546
where:
bonds (distance) C4'-P energy: -57.199
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -91.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -972.272188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.272188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.272188 (E_RNA)
where:
Base-Base interactions energy: -658.611
where: short stacking energy: -306.517
Base-Backbone interact. energy: -2.034
local terms energy: -311.626618
where:
bonds (distance) C4'-P energy: -53.992
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -65.909
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -96.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -941.792210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.792210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.792210 (E_RNA)
where:
Base-Base interactions energy: -655.350
where: short stacking energy: -267.961
Base-Backbone interact. energy: -0.982
local terms energy: -285.460355
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -60.854
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -76.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -835.478084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.478084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.478084 (E_RNA)
where:
Base-Base interactions energy: -565.243
where: short stacking energy: -261.076
Base-Backbone interact. energy: -1.581
local terms energy: -268.654722
where:
bonds (distance) C4'-P energy: -49.447
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -61.516
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -69.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -844.357936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.357936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.357936 (E_RNA)
where:
Base-Base interactions energy: -590.914
where: short stacking energy: -267.291
Base-Backbone interact. energy: -0.581
local terms energy: -252.862660
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -57.007
flat angles P-C4'-P energy: -37.994
tors. eta vs tors. theta energy: -80.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -799.076494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.076494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.076494 (E_RNA)
where:
Base-Base interactions energy: -538.271
where: short stacking energy: -239.829
Base-Backbone interact. energy: 0.038
local terms energy: -260.843541
where:
bonds (distance) C4'-P energy: -53.828
bonds (distance) P-C4' energy: -54.369
flat angles C4'-P-C4' energy: -49.241
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -68.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -727.063627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.063627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.063627 (E_RNA)
where:
Base-Base interactions energy: -488.915
where: short stacking energy: -210.548
Base-Backbone interact. energy: -1.528
local terms energy: -236.620437
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -47.615
flat angles C4'-P-C4' energy: -49.988
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -53.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -456.150117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.150117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.150117 (E_RNA)
where:
Base-Base interactions energy: -272.520
where: short stacking energy: -134.465
Base-Backbone interact. energy: -0.115
local terms energy: -183.515469
where:
bonds (distance) C4'-P energy: -37.036
bonds (distance) P-C4' energy: -52.388
flat angles C4'-P-C4' energy: -43.611
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -465.567438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.567438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.567438 (E_RNA)
where:
Base-Base interactions energy: -290.042
where: short stacking energy: -138.971
Base-Backbone interact. energy: -1.913
local terms energy: -173.613195
where:
bonds (distance) C4'-P energy: -37.724
bonds (distance) P-C4' energy: -48.651
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -294.729080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.729080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.729080 (E_RNA)
where:
Base-Base interactions energy: -121.154
where: short stacking energy: -95.960
Base-Backbone interact. energy: -1.477
local terms energy: -172.097487
where:
bonds (distance) C4'-P energy: -39.030
bonds (distance) P-C4' energy: -47.242
flat angles C4'-P-C4' energy: -42.724
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -5.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -977.031736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.031736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.031736 (E_RNA)
where:
Base-Base interactions energy: -658.969
where: short stacking energy: -297.530
Base-Backbone interact. energy: -0.980
local terms energy: -317.082349
where:
bonds (distance) C4'-P energy: -57.397
bonds (distance) P-C4' energy: -63.270
flat angles C4'-P-C4' energy: -61.962
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -87.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -987.746961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.746961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.746961 (E_RNA)
where:
Base-Base interactions energy: -671.610
where: short stacking energy: -298.711
Base-Backbone interact. energy: 0.723
local terms energy: -316.860134
where:
bonds (distance) C4'-P energy: -54.767
bonds (distance) P-C4' energy: -63.488
flat angles C4'-P-C4' energy: -65.532
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -89.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -937.644800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.644800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.644800 (E_RNA)
where:
Base-Base interactions energy: -644.198
where: short stacking energy: -266.956
Base-Backbone interact. energy: 1.518
local terms energy: -294.965113
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -50.892
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: -79.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -836.073750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.073750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.073750 (E_RNA)
where:
Base-Base interactions energy: -551.147
where: short stacking energy: -250.048
Base-Backbone interact. energy: -3.570
local terms energy: -281.356978
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -59.583
flat angles C4'-P-C4' energy: -59.726
flat angles P-C4'-P energy: -32.259
tors. eta vs tors. theta energy: -75.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -870.380916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.380916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.380916 (E_RNA)
where:
Base-Base interactions energy: -591.229
where: short stacking energy: -265.698
Base-Backbone interact. energy: 2.398
local terms energy: -281.549983
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -46.800
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -41.225
tors. eta vs tors. theta energy: -81.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -815.638240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.638240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.638240 (E_RNA)
where:
Base-Base interactions energy: -565.823
where: short stacking energy: -254.267
Base-Backbone interact. energy: 0.331
local terms energy: -250.146004
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -36.778
flat angles C4'-P-C4' energy: -51.861
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -68.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -653.441465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.441465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.441465 (E_RNA)
where:
Base-Base interactions energy: -442.298
where: short stacking energy: -187.081
Base-Backbone interact. energy: -1.427
local terms energy: -209.716310
where:
bonds (distance) C4'-P energy: -41.374
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -51.527
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: -37.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -479.282848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.282848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.282848 (E_RNA)
where:
Base-Base interactions energy: -295.513
where: short stacking energy: -146.329
Base-Backbone interact. energy: -0.887
local terms energy: -182.882575
where:
bonds (distance) C4'-P energy: -48.524
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -36.632
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -473.791478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.791478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.791478 (E_RNA)
where:
Base-Base interactions energy: -297.152
where: short stacking energy: -140.493
Base-Backbone interact. energy: 3.931
local terms energy: -180.570627
where:
bonds (distance) C4'-P energy: -47.007
bonds (distance) P-C4' energy: -49.273
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -269.287013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.287013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.287013 (E_RNA)
where:
Base-Base interactions energy: -132.249
where: short stacking energy: -95.927
Base-Backbone interact. energy: -1.670
local terms energy: -135.367789
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -984.550912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.550912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.550912 (E_RNA)
where:
Base-Base interactions energy: -675.090
where: short stacking energy: -305.218
Base-Backbone interact. energy: -0.686
local terms energy: -308.774472
where:
bonds (distance) C4'-P energy: -51.708
bonds (distance) P-C4' energy: -57.128
flat angles C4'-P-C4' energy: -68.213
flat angles P-C4'-P energy: -40.747
tors. eta vs tors. theta energy: -90.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -971.978575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.978575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.978575 (E_RNA)
where:
Base-Base interactions energy: -667.397
where: short stacking energy: -280.445
Base-Backbone interact. energy: -0.855
local terms energy: -303.726584
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -59.890
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -91.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -959.284664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.284664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.284664 (E_RNA)
where:
Base-Base interactions energy: -683.452
where: short stacking energy: -280.131
Base-Backbone interact. energy: -1.966
local terms energy: -273.866327
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -61.483
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: -75.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -885.663230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.663230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.663230 (E_RNA)
where:
Base-Base interactions energy: -595.543
where: short stacking energy: -271.869
Base-Backbone interact. energy: 0.237
local terms energy: -290.357373
where:
bonds (distance) C4'-P energy: -57.883
bonds (distance) P-C4' energy: -51.907
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -77.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -852.855555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.855555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.855555 (E_RNA)
where:
Base-Base interactions energy: -578.015
where: short stacking energy: -265.615
Base-Backbone interact. energy: -1.140
local terms energy: -273.701292
where:
bonds (distance) C4'-P energy: -45.620
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -58.617
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -76.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -811.977685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.977685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.977685 (E_RNA)
where:
Base-Base interactions energy: -529.061
where: short stacking energy: -247.029
Base-Backbone interact. energy: -0.238
local terms energy: -282.679294
where:
bonds (distance) C4'-P energy: -51.888
bonds (distance) P-C4' energy: -57.575
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -67.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -647.037322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.037322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.037322 (E_RNA)
where:
Base-Base interactions energy: -428.522
where: short stacking energy: -189.511
Base-Backbone interact. energy: -0.753
local terms energy: -217.762226
where:
bonds (distance) C4'-P energy: -42.416
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -43.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -456.316277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.316277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.316277 (E_RNA)
where:
Base-Base interactions energy: -275.215
where: short stacking energy: -133.501
Base-Backbone interact. energy: 0.763
local terms energy: -181.864301
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -45.875
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -436.183562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.183562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.183562 (E_RNA)
where:
Base-Base interactions energy: -256.041
where: short stacking energy: -117.835
Base-Backbone interact. energy: 0.075
local terms energy: -180.217775
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -57.513
flat angles C4'-P-C4' energy: -44.587
flat angles P-C4'-P energy: -19.020
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -260.059619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.059619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.059619 (E_RNA)
where:
Base-Base interactions energy: -108.446
where: short stacking energy: -73.242
Base-Backbone interact. energy: -0.918
local terms energy: -150.695901
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -44.004
flat angles C4'-P-C4' energy: -48.703
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: 5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1002.685492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.685492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.685492 (E_RNA)
where:
Base-Base interactions energy: -687.912
where: short stacking energy: -318.896
Base-Backbone interact. energy: -0.125
local terms energy: -314.648844
where:
bonds (distance) C4'-P energy: -57.021
bonds (distance) P-C4' energy: -57.853
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -93.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -981.710365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.710365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.710365 (E_RNA)
where:
Base-Base interactions energy: -658.620
where: short stacking energy: -292.555
Base-Backbone interact. energy: -1.750
local terms energy: -321.341241
where:
bonds (distance) C4'-P energy: -58.005
bonds (distance) P-C4' energy: -58.345
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -94.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -930.723875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.723875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.723875 (E_RNA)
where:
Base-Base interactions energy: -643.594
where: short stacking energy: -268.328
Base-Backbone interact. energy: -0.365
local terms energy: -286.764947
where:
bonds (distance) C4'-P energy: -55.243
bonds (distance) P-C4' energy: -42.299
flat angles C4'-P-C4' energy: -66.551
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -74.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -899.502145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.502145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.502145 (E_RNA)
where:
Base-Base interactions energy: -599.132
where: short stacking energy: -267.658
Base-Backbone interact. energy: -0.419
local terms energy: -299.950962
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -56.029
flat angles C4'-P-C4' energy: -64.859
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -81.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -832.183128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.183128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.183128 (E_RNA)
where:
Base-Base interactions energy: -556.194
where: short stacking energy: -252.211
Base-Backbone interact. energy: -1.506
local terms energy: -274.483165
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -55.209
flat angles C4'-P-C4' energy: -63.662
flat angles P-C4'-P energy: -35.778
tors. eta vs tors. theta energy: -72.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -792.116869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.116869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.116869 (E_RNA)
where:
Base-Base interactions energy: -545.884
where: short stacking energy: -236.681
Base-Backbone interact. energy: -1.437
local terms energy: -244.795430
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -49.023
flat angles C4'-P-C4' energy: -46.111
flat angles P-C4'-P energy: -33.805
tors. eta vs tors. theta energy: -67.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -663.346573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.346573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.346573 (E_RNA)
where:
Base-Base interactions energy: -444.124
where: short stacking energy: -200.578
Base-Backbone interact. energy: 0.004
local terms energy: -219.226860
where:
bonds (distance) C4'-P energy: -43.981
bonds (distance) P-C4' energy: -51.330
flat angles C4'-P-C4' energy: -49.805
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -38.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -445.537983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.537983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.537983 (E_RNA)
where:
Base-Base interactions energy: -254.789
where: short stacking energy: -142.068
Base-Backbone interact. energy: 1.455
local terms energy: -192.204265
where:
bonds (distance) C4'-P energy: -44.786
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -410.263298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.263298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.263298 (E_RNA)
where:
Base-Base interactions energy: -223.750
where: short stacking energy: -117.174
Base-Backbone interact. energy: -2.319
local terms energy: -184.194968
where:
bonds (distance) C4'-P energy: -42.509
bonds (distance) P-C4' energy: -50.094
flat angles C4'-P-C4' energy: -47.744
flat angles P-C4'-P energy: -26.200
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -267.764685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.764685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.764685 (E_RNA)
where:
Base-Base interactions energy: -128.405
where: short stacking energy: -78.890
Base-Backbone interact. energy: 0.455
local terms energy: -139.815182
where:
bonds (distance) C4'-P energy: -32.360
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -988.790833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.790833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.790833 (E_RNA)
where:
Base-Base interactions energy: -671.197
where: short stacking energy: -309.873
Base-Backbone interact. energy: -0.070
local terms energy: -317.523663
where:
bonds (distance) C4'-P energy: -53.485
bonds (distance) P-C4' energy: -54.859
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -48.918
tors. eta vs tors. theta energy: -90.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -961.741823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.741823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.741823 (E_RNA)
where:
Base-Base interactions energy: -654.644
where: short stacking energy: -297.959
Base-Backbone interact. energy: -1.014
local terms energy: -306.084046
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -56.887
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: -92.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -946.149252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.149252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.149252 (E_RNA)
where:
Base-Base interactions energy: -668.724
where: short stacking energy: -264.153
Base-Backbone interact. energy: -0.447
local terms energy: -276.977990
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -46.559
flat angles C4'-P-C4' energy: -62.633
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -72.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -844.248449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.248449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.248449 (E_RNA)
where:
Base-Base interactions energy: -569.184
where: short stacking energy: -260.844
Base-Backbone interact. energy: -0.797
local terms energy: -274.268024
where:
bonds (distance) C4'-P energy: -58.996
bonds (distance) P-C4' energy: -59.291
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -66.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -868.471735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.471735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.471735 (E_RNA)
where:
Base-Base interactions energy: -582.068
where: short stacking energy: -252.647
Base-Backbone interact. energy: -3.182
local terms energy: -283.221914
where:
bonds (distance) C4'-P energy: -53.056
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -73.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -811.609427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.609427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.609427 (E_RNA)
where:
Base-Base interactions energy: -554.673
where: short stacking energy: -237.120
Base-Backbone interact. energy: 1.616
local terms energy: -258.552809
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -54.839
flat angles C4'-P-C4' energy: -53.090
flat angles P-C4'-P energy: -35.804
tors. eta vs tors. theta energy: -67.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -672.644103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.644103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.644103 (E_RNA)
where:
Base-Base interactions energy: -439.277
where: short stacking energy: -208.085
Base-Backbone interact. energy: -0.867
local terms energy: -232.499448
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -61.514
flat angles P-C4'-P energy: -36.571
tors. eta vs tors. theta energy: -53.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -509.221955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.221955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.221955 (E_RNA)
where:
Base-Base interactions energy: -313.441
where: short stacking energy: -138.296
Base-Backbone interact. energy: 0.239
local terms energy: -196.020087
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -25.673
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -429.539121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.539121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.539121 (E_RNA)
where:
Base-Base interactions energy: -234.446
where: short stacking energy: -122.761
Base-Backbone interact. energy: 1.011
local terms energy: -196.104135
where:
bonds (distance) C4'-P energy: -53.238
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -40.601
flat angles P-C4'-P energy: -31.140
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -275.807846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.807846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.807846 (E_RNA)
where:
Base-Base interactions energy: -105.449
where: short stacking energy: -74.079
Base-Backbone interact. energy: 0.348
local terms energy: -170.707333
where:
bonds (distance) C4'-P energy: -39.247
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -50.802
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: 2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -980.677170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.677170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.677170 (E_RNA)
where:
Base-Base interactions energy: -656.589
where: short stacking energy: -292.803
Base-Backbone interact. energy: -0.390
local terms energy: -323.698753
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -64.128
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -93.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -960.115551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.115551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.115551 (E_RNA)
where:
Base-Base interactions energy: -640.544
where: short stacking energy: -287.938
Base-Backbone interact. energy: -1.099
local terms energy: -318.472599
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -58.418
flat angles C4'-P-C4' energy: -68.551
flat angles P-C4'-P energy: -46.522
tors. eta vs tors. theta energy: -93.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -948.619660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.619660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.619660 (E_RNA)
where:
Base-Base interactions energy: -657.837
where: short stacking energy: -276.111
Base-Backbone interact. energy: -0.095
local terms energy: -290.687943
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -57.451
flat angles C4'-P-C4' energy: -51.838
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -80.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -854.675927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.675927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.675927 (E_RNA)
where:
Base-Base interactions energy: -577.451
where: short stacking energy: -256.085
Base-Backbone interact. energy: -2.381
local terms energy: -274.844025
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -62.610
flat angles P-C4'-P energy: -32.797
tors. eta vs tors. theta energy: -76.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -817.870889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.870889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.870889 (E_RNA)
where:
Base-Base interactions energy: -551.423
where: short stacking energy: -244.358
Base-Backbone interact. energy: -1.211
local terms energy: -265.237675
where:
bonds (distance) C4'-P energy: -44.137
bonds (distance) P-C4' energy: -53.426
flat angles C4'-P-C4' energy: -58.867
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -65.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -813.257711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.257711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.257711 (E_RNA)
where:
Base-Base interactions energy: -539.610
where: short stacking energy: -237.503
Base-Backbone interact. energy: -1.385
local terms energy: -272.262778
where:
bonds (distance) C4'-P energy: -48.169
bonds (distance) P-C4' energy: -53.883
flat angles C4'-P-C4' energy: -60.584
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -74.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -625.762225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.762225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.762225 (E_RNA)
where:
Base-Base interactions energy: -404.919
where: short stacking energy: -204.008
Base-Backbone interact. energy: -1.329
local terms energy: -219.514524
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -47.683
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -40.937
tors. eta vs tors. theta energy: -49.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -525.869944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.869944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.869944 (E_RNA)
where:
Base-Base interactions energy: -329.160
where: short stacking energy: -156.141
Base-Backbone interact. energy: -1.093
local terms energy: -195.616542
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -50.734
flat angles P-C4'-P energy: -27.912
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -463.584088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.584088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.584088 (E_RNA)
where:
Base-Base interactions energy: -267.223
where: short stacking energy: -122.725
Base-Backbone interact. energy: 0.624
local terms energy: -196.985290
where:
bonds (distance) C4'-P energy: -48.880
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -230.799029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.799029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.799029 (E_RNA)
where:
Base-Base interactions energy: -83.169
where: short stacking energy: -55.615
Base-Backbone interact. energy: -2.252
local terms energy: -145.377631
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -47.899
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: 7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -977.538423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.538423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.538423 (E_RNA)
where:
Base-Base interactions energy: -674.296
where: short stacking energy: -303.934
Base-Backbone interact. energy: -0.589
local terms energy: -302.653320
where:
bonds (distance) C4'-P energy: -52.733
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -68.443
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: -90.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -968.261499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.261499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.261499 (E_RNA)
where:
Base-Base interactions energy: -683.535
where: short stacking energy: -291.679
Base-Backbone interact. energy: -1.599
local terms energy: -283.128375
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -82.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -939.622249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.622249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.622249 (E_RNA)
where:
Base-Base interactions energy: -634.246
where: short stacking energy: -279.711
Base-Backbone interact. energy: -0.590
local terms energy: -304.786202
where:
bonds (distance) C4'-P energy: -51.632
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -68.871
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -90.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -850.676166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.676166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.676166 (E_RNA)
where:
Base-Base interactions energy: -568.871
where: short stacking energy: -241.969
Base-Backbone interact. energy: -2.470
local terms energy: -279.334940
where:
bonds (distance) C4'-P energy: -44.926
bonds (distance) P-C4' energy: -58.970
flat angles C4'-P-C4' energy: -60.168
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -68.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -827.212263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.212263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.212263 (E_RNA)
where:
Base-Base interactions energy: -560.109
where: short stacking energy: -243.667
Base-Backbone interact. energy: -0.087
local terms energy: -267.016565
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -55.434
flat angles C4'-P-C4' energy: -50.133
flat angles P-C4'-P energy: -33.422
tors. eta vs tors. theta energy: -75.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -787.211562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.211562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.211562 (E_RNA)
where:
Base-Base interactions energy: -541.049
where: short stacking energy: -235.308
Base-Backbone interact. energy: -0.325
local terms energy: -245.837836
where:
bonds (distance) C4'-P energy: -56.032
bonds (distance) P-C4' energy: -50.461
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -28.997
tors. eta vs tors. theta energy: -63.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -620.188727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.188727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.188727 (E_RNA)
where:
Base-Base interactions energy: -398.203
where: short stacking energy: -207.558
Base-Backbone interact. energy: -0.197
local terms energy: -221.787768
where:
bonds (distance) C4'-P energy: -43.661
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -509.210114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.210114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.210114 (E_RNA)
where:
Base-Base interactions energy: -318.701
where: short stacking energy: -154.126
Base-Backbone interact. energy: -0.098
local terms energy: -190.411310
where:
bonds (distance) C4'-P energy: -38.133
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -27.583
tors. eta vs tors. theta energy: -31.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -477.663646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.663646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.663646 (E_RNA)
where:
Base-Base interactions energy: -294.808
where: short stacking energy: -128.165
Base-Backbone interact. energy: 2.550
local terms energy: -185.405548
where:
bonds (distance) C4'-P energy: -46.308
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -234.248368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.248368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.248368 (E_RNA)
where:
Base-Base interactions energy: -77.401
where: short stacking energy: -43.029
Base-Backbone interact. energy: 2.075
local terms energy: -158.922083
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -45.702
flat angles C4'-P-C4' energy: -44.846
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: 8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -974.604918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.604918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.604918 (E_RNA)
where:
Base-Base interactions energy: -675.546
where: short stacking energy: -286.425
Base-Backbone interact. energy: -0.158
local terms energy: -298.900582
where:
bonds (distance) C4'-P energy: -55.689
bonds (distance) P-C4' energy: -53.105
flat angles C4'-P-C4' energy: -58.679
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -80.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -967.386497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.386497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.386497 (E_RNA)
where:
Base-Base interactions energy: -651.159
where: short stacking energy: -292.445
Base-Backbone interact. energy: -0.472
local terms energy: -315.754834
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -55.697
flat angles C4'-P-C4' energy: -64.033
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -91.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -924.533602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.533602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.533602 (E_RNA)
where:
Base-Base interactions energy: -633.124
where: short stacking energy: -282.253
Base-Backbone interact. energy: -1.746
local terms energy: -289.663133
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -60.889
flat angles P-C4'-P energy: -36.179
tors. eta vs tors. theta energy: -91.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -860.541599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.541599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.541599 (E_RNA)
where:
Base-Base interactions energy: -585.925
where: short stacking energy: -268.653
Base-Backbone interact. energy: -2.142
local terms energy: -272.474694
where:
bonds (distance) C4'-P energy: -54.157
bonds (distance) P-C4' energy: -54.533
flat angles C4'-P-C4' energy: -54.608
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -77.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -851.303211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.303211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.303211 (E_RNA)
where:
Base-Base interactions energy: -570.092
where: short stacking energy: -242.519
Base-Backbone interact. energy: -1.061
local terms energy: -280.150302
where:
bonds (distance) C4'-P energy: -48.233
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -70.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -836.195209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.195209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.195209 (E_RNA)
where:
Base-Base interactions energy: -552.190
where: short stacking energy: -246.875
Base-Backbone interact. energy: -0.622
local terms energy: -283.383518
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -57.219
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -38.646
tors. eta vs tors. theta energy: -75.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -642.179718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.179718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.179718 (E_RNA)
where:
Base-Base interactions energy: -407.804
where: short stacking energy: -170.087
Base-Backbone interact. energy: 0.812
local terms energy: -235.187686
where:
bonds (distance) C4'-P energy: -56.036
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -44.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -509.975861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.975861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.975861 (E_RNA)
where:
Base-Base interactions energy: -296.479
where: short stacking energy: -141.712
Base-Backbone interact. energy: 0.572
local terms energy: -214.068833
where:
bonds (distance) C4'-P energy: -57.070
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -48.983
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -458.994675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.994675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.994675 (E_RNA)
where:
Base-Base interactions energy: -273.267
where: short stacking energy: -145.616
Base-Backbone interact. energy: -2.331
local terms energy: -183.396018
where:
bonds (distance) C4'-P energy: -43.905
bonds (distance) P-C4' energy: -45.423
flat angles C4'-P-C4' energy: -47.210
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -246.615995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.615995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.615995 (E_RNA)
where:
Base-Base interactions energy: -88.148
where: short stacking energy: -77.727
Base-Backbone interact. energy: -1.434
local terms energy: -157.034195
where:
bonds (distance) C4'-P energy: -46.517
bonds (distance) P-C4' energy: -40.818
flat angles C4'-P-C4' energy: -43.387
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -994.997930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.997930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.997930 (E_RNA)
where:
Base-Base interactions energy: -695.849
where: short stacking energy: -283.400
Base-Backbone interact. energy: -1.956
local terms energy: -297.192785
where:
bonds (distance) C4'-P energy: -60.629
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -79.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -940.610871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.610871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.610871 (E_RNA)
where:
Base-Base interactions energy: -644.355
where: short stacking energy: -288.272
Base-Backbone interact. energy: -0.211
local terms energy: -296.045207
where:
bonds (distance) C4'-P energy: -52.960
bonds (distance) P-C4' energy: -49.507
flat angles C4'-P-C4' energy: -66.736
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -80.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -920.303503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.303503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.303503 (E_RNA)
where:
Base-Base interactions energy: -621.050
where: short stacking energy: -276.450
Base-Backbone interact. energy: -0.777
local terms energy: -298.476180
where:
bonds (distance) C4'-P energy: -55.990
bonds (distance) P-C4' energy: -64.909
flat angles C4'-P-C4' energy: -62.201
flat angles P-C4'-P energy: -37.383
tors. eta vs tors. theta energy: -77.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -867.733252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.733252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.733252 (E_RNA)
where:
Base-Base interactions energy: -585.510
where: short stacking energy: -251.269
Base-Backbone interact. energy: -0.809
local terms energy: -281.414677
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -53.079
flat angles C4'-P-C4' energy: -63.547
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -75.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -841.333192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.333192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.333192 (E_RNA)
where:
Base-Base interactions energy: -565.757
where: short stacking energy: -245.031
Base-Backbone interact. energy: -0.270
local terms energy: -275.306187
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -66.279
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -80.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -814.527913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.527913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.527913 (E_RNA)
where:
Base-Base interactions energy: -559.571
where: short stacking energy: -248.658
Base-Backbone interact. energy: -1.136
local terms energy: -253.820451
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -47.675
flat angles C4'-P-C4' energy: -57.118
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -69.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -620.324567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.324567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.324567 (E_RNA)
where:
Base-Base interactions energy: -397.137
where: short stacking energy: -174.858
Base-Backbone interact. energy: 0.183
local terms energy: -223.371266
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -53.576
flat angles C4'-P-C4' energy: -49.336
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -37.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -532.517282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.517282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.517282 (E_RNA)
where:
Base-Base interactions energy: -335.251
where: short stacking energy: -176.070
Base-Backbone interact. energy: -2.228
local terms energy: -195.038568
where:
bonds (distance) C4'-P energy: -46.507
bonds (distance) P-C4' energy: -35.638
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -30.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -481.774245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.774245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.774245 (E_RNA)
where:
Base-Base interactions energy: -289.264
where: short stacking energy: -134.315
Base-Backbone interact. energy: -0.784
local terms energy: -191.726179
where:
bonds (distance) C4'-P energy: -39.419
bonds (distance) P-C4' energy: -48.785
flat angles C4'-P-C4' energy: -48.654
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -28.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -246.437264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.437264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.437264 (E_RNA)
where:
Base-Base interactions energy: -72.692
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.534
local terms energy: -173.211345
where:
bonds (distance) C4'-P energy: -34.159
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -46.660
flat angles P-C4'-P energy: -41.579
tors. eta vs tors. theta energy: 6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -999.873049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.873049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.873049 (E_RNA)
where:
Base-Base interactions energy: -700.496
where: short stacking energy: -284.422
Base-Backbone interact. energy: -1.525
local terms energy: -297.852587
where:
bonds (distance) C4'-P energy: -57.945
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -77.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -954.954735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.954735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.954735 (E_RNA)
where:
Base-Base interactions energy: -649.983
where: short stacking energy: -293.692
Base-Backbone interact. energy: -0.585
local terms energy: -304.387218
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -59.181
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -92.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -894.179154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.179154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.179154 (E_RNA)
where:
Base-Base interactions energy: -585.597
where: short stacking energy: -267.053
Base-Backbone interact. energy: 2.062
local terms energy: -310.643854
where:
bonds (distance) C4'-P energy: -61.672
bonds (distance) P-C4' energy: -60.547
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -82.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -916.923208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.923208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.923208 (E_RNA)
where:
Base-Base interactions energy: -634.362
where: short stacking energy: -282.436
Base-Backbone interact. energy: 0.833
local terms energy: -283.394450
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -47.032
flat angles C4'-P-C4' energy: -61.475
flat angles P-C4'-P energy: -42.725
tors. eta vs tors. theta energy: -83.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -856.032806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.032806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.032806 (E_RNA)
where:
Base-Base interactions energy: -592.453
where: short stacking energy: -265.775
Base-Backbone interact. energy: -0.414
local terms energy: -263.166449
where:
bonds (distance) C4'-P energy: -52.693
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -46.192
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -72.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -857.880516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.880516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.880516 (E_RNA)
where:
Base-Base interactions energy: -566.241
where: short stacking energy: -257.708
Base-Backbone interact. energy: -0.718
local terms energy: -290.920855
where:
bonds (distance) C4'-P energy: -52.629
bonds (distance) P-C4' energy: -59.476
flat angles C4'-P-C4' energy: -64.101
flat angles P-C4'-P energy: -40.394
tors. eta vs tors. theta energy: -74.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -627.542246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.542246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.542246 (E_RNA)
where:
Base-Base interactions energy: -414.217
where: short stacking energy: -183.371
Base-Backbone interact. energy: -0.486
local terms energy: -212.839209
where:
bonds (distance) C4'-P energy: -36.065
bonds (distance) P-C4' energy: -54.718
flat angles C4'-P-C4' energy: -52.211
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -39.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -536.838936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.838936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.838936 (E_RNA)
where:
Base-Base interactions energy: -340.215
where: short stacking energy: -164.089
Base-Backbone interact. energy: -1.331
local terms energy: -195.292612
where:
bonds (distance) C4'-P energy: -40.949
bonds (distance) P-C4' energy: -41.777
flat angles C4'-P-C4' energy: -38.570
flat angles P-C4'-P energy: -33.791
tors. eta vs tors. theta energy: -40.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -487.711671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.711671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.711671 (E_RNA)
where:
Base-Base interactions energy: -275.764
where: short stacking energy: -122.284
Base-Backbone interact. energy: -1.852
local terms energy: -210.096038
where:
bonds (distance) C4'-P energy: -37.647
bonds (distance) P-C4' energy: -57.127
flat angles C4'-P-C4' energy: -55.097
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -237.559876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.559876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.559876 (E_RNA)
where:
Base-Base interactions energy: -84.162
where: short stacking energy: -72.344
Base-Backbone interact. energy: 0.642
local terms energy: -154.039414
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -48.948
flat angles C4'-P-C4' energy: -29.105
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -989.374225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.374225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.374225 (E_RNA)
where:
Base-Base interactions energy: -680.813
where: short stacking energy: -299.760
Base-Backbone interact. energy: -1.038
local terms energy: -307.524036
where:
bonds (distance) C4'-P energy: -61.473
bonds (distance) P-C4' energy: -62.421
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -43.280
tors. eta vs tors. theta energy: -82.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -924.139004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.139004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.139004 (E_RNA)
where:
Base-Base interactions energy: -624.121
where: short stacking energy: -271.811
Base-Backbone interact. energy: -3.058
local terms energy: -296.959652
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -54.670
flat angles C4'-P-C4' energy: -59.750
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -86.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -889.076687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.076687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.076687 (E_RNA)
where:
Base-Base interactions energy: -587.956
where: short stacking energy: -264.363
Base-Backbone interact. energy: -0.932
local terms energy: -300.188688
where:
bonds (distance) C4'-P energy: -62.600
bonds (distance) P-C4' energy: -55.599
flat angles C4'-P-C4' energy: -56.933
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -79.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -889.305669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.305669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.305669 (E_RNA)
where:
Base-Base interactions energy: -613.077
where: short stacking energy: -281.078
Base-Backbone interact. energy: 0.785
local terms energy: -277.013591
where:
bonds (distance) C4'-P energy: -50.863
bonds (distance) P-C4' energy: -52.425
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -40.418
tors. eta vs tors. theta energy: -79.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -827.229311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.229311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.229311 (E_RNA)
where:
Base-Base interactions energy: -572.277
where: short stacking energy: -244.528
Base-Backbone interact. energy: -3.241
local terms energy: -251.710685
where:
bonds (distance) C4'-P energy: -33.201
bonds (distance) P-C4' energy: -51.525
flat angles C4'-P-C4' energy: -55.245
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -71.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -809.843435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.843435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.843435 (E_RNA)
where:
Base-Base interactions energy: -532.389
where: short stacking energy: -234.477
Base-Backbone interact. energy: -0.208
local terms energy: -277.246777
where:
bonds (distance) C4'-P energy: -43.795
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -67.117
flat angles P-C4'-P energy: -43.870
tors. eta vs tors. theta energy: -66.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -638.485607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.485607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.485607 (E_RNA)
where:
Base-Base interactions energy: -407.313
where: short stacking energy: -176.018
Base-Backbone interact. energy: 0.031
local terms energy: -231.203421
where:
bonds (distance) C4'-P energy: -55.025
bonds (distance) P-C4' energy: -46.394
flat angles C4'-P-C4' energy: -46.960
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -47.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -523.491796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.491796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.491796 (E_RNA)
where:
Base-Base interactions energy: -332.510
where: short stacking energy: -158.311
Base-Backbone interact. energy: -0.241
local terms energy: -190.740516
where:
bonds (distance) C4'-P energy: -42.212
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -37.747
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -34.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -441.430930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.430930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.430930 (E_RNA)
where:
Base-Base interactions energy: -256.949
where: short stacking energy: -130.362
Base-Backbone interact. energy: 1.135
local terms energy: -185.617729
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -42.211
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -233.771815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.771815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.771815 (E_RNA)
where:
Base-Base interactions energy: -78.724
where: short stacking energy: -68.225
Base-Backbone interact. energy: 0.525
local terms energy: -155.572594
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -36.192
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: 1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1001.687720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.687720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.687720 (E_RNA)
where:
Base-Base interactions energy: -687.550
where: short stacking energy: -291.168
Base-Backbone interact. energy: -3.790
local terms energy: -310.347440
where:
bonds (distance) C4'-P energy: -58.339
bonds (distance) P-C4' energy: -61.526
flat angles C4'-P-C4' energy: -59.609
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -87.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -939.276843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.276843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.276843 (E_RNA)
where:
Base-Base interactions energy: -648.196
where: short stacking energy: -275.877
Base-Backbone interact. energy: -1.870
local terms energy: -289.210532
where:
bonds (distance) C4'-P energy: -54.321
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -60.157
flat angles P-C4'-P energy: -41.197
tors. eta vs tors. theta energy: -84.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -900.215946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.215946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.215946 (E_RNA)
where:
Base-Base interactions energy: -616.909
where: short stacking energy: -272.440
Base-Backbone interact. energy: -1.842
local terms energy: -281.464754
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -59.848
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -75.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -901.965316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.965316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.965316 (E_RNA)
where:
Base-Base interactions energy: -614.026
where: short stacking energy: -269.548
Base-Backbone interact. energy: -2.221
local terms energy: -285.717631
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -55.525
flat angles C4'-P-C4' energy: -61.365
flat angles P-C4'-P energy: -44.157
tors. eta vs tors. theta energy: -71.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -815.705006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.705006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.705006 (E_RNA)
where:
Base-Base interactions energy: -544.652
where: short stacking energy: -252.066
Base-Backbone interact. energy: -0.719
local terms energy: -270.333735
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -59.156
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -69.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -813.897618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.897618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.897618 (E_RNA)
where:
Base-Base interactions energy: -549.400
where: short stacking energy: -235.965
Base-Backbone interact. energy: -1.248
local terms energy: -263.250533
where:
bonds (distance) C4'-P energy: -62.155
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -33.952
tors. eta vs tors. theta energy: -58.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -663.702581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.702581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.702581 (E_RNA)
where:
Base-Base interactions energy: -422.714
where: short stacking energy: -184.813
Base-Backbone interact. energy: -0.542
local terms energy: -240.447123
where:
bonds (distance) C4'-P energy: -47.882
bonds (distance) P-C4' energy: -58.606
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -518.659214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.659214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.659214 (E_RNA)
where:
Base-Base interactions energy: -326.589
where: short stacking energy: -153.614
Base-Backbone interact. energy: -0.613
local terms energy: -191.457962
where:
bonds (distance) C4'-P energy: -41.560
bonds (distance) P-C4' energy: -54.056
flat angles C4'-P-C4' energy: -36.269
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -437.932746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.932746 (E_RNA)
where:
Base-Base interactions energy: -246.214
where: short stacking energy: -145.848
Base-Backbone interact. energy: 2.918
local terms energy: -194.636751
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -35.383
flat angles C4'-P-C4' energy: -51.114
flat angles P-C4'-P energy: -40.788
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -243.023479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.023479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.023479 (E_RNA)
where:
Base-Base interactions energy: -101.742
where: short stacking energy: -72.089
Base-Backbone interact. energy: 0.682
local terms energy: -141.962612
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -42.493
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -24.214
tors. eta vs tors. theta energy: 11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1004.942757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.942757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.942757 (E_RNA)
where:
Base-Base interactions energy: -701.984
where: short stacking energy: -293.469
Base-Backbone interact. energy: -1.381
local terms energy: -301.577450
where:
bonds (distance) C4'-P energy: -57.104
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -60.433
flat angles P-C4'-P energy: -43.494
tors. eta vs tors. theta energy: -82.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -963.906892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.906892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.906892 (E_RNA)
where:
Base-Base interactions energy: -666.758
where: short stacking energy: -295.086
Base-Backbone interact. energy: -0.680
local terms energy: -296.469011
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -66.092
flat angles P-C4'-P energy: -40.007
tors. eta vs tors. theta energy: -96.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -898.180919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.180919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.180919 (E_RNA)
where:
Base-Base interactions energy: -588.707
where: short stacking energy: -278.153
Base-Backbone interact. energy: -2.403
local terms energy: -307.071237
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -59.722
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -43.215
tors. eta vs tors. theta energy: -86.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -893.453973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.453973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.453973 (E_RNA)
where:
Base-Base interactions energy: -597.629
where: short stacking energy: -271.984
Base-Backbone interact. energy: -0.114
local terms energy: -295.710176
where:
bonds (distance) C4'-P energy: -50.286
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -86.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -830.053415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.053415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.053415 (E_RNA)
where:
Base-Base interactions energy: -552.548
where: short stacking energy: -253.246
Base-Backbone interact. energy: -1.457
local terms energy: -276.048130
where:
bonds (distance) C4'-P energy: -40.865
bonds (distance) P-C4' energy: -58.993
flat angles C4'-P-C4' energy: -62.135
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -69.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -809.525471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.525471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.525471 (E_RNA)
where:
Base-Base interactions energy: -555.353
where: short stacking energy: -243.830
Base-Backbone interact. energy: -0.942
local terms energy: -253.230415
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -43.389
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -40.227
tors. eta vs tors. theta energy: -65.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -632.913554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.913554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.913554 (E_RNA)
where:
Base-Base interactions energy: -402.113
where: short stacking energy: -170.870
Base-Backbone interact. energy: -1.317
local terms energy: -229.483654
where:
bonds (distance) C4'-P energy: -54.128
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -35.977
tors. eta vs tors. theta energy: -38.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -541.487591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.487591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.487591 (E_RNA)
where:
Base-Base interactions energy: -339.250
where: short stacking energy: -159.831
Base-Backbone interact. energy: -1.465
local terms energy: -200.773136
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -40.865
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -449.154354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.154354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.154354 (E_RNA)
where:
Base-Base interactions energy: -280.668
where: short stacking energy: -130.400
Base-Backbone interact. energy: 1.186
local terms energy: -169.672029
where:
bonds (distance) C4'-P energy: -42.778
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -45.387
flat angles P-C4'-P energy: -29.475
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -234.557218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.557218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.557218 (E_RNA)
where:
Base-Base interactions energy: -100.487
where: short stacking energy: -76.696
Base-Backbone interact. energy: -2.394
local terms energy: -131.676197
where:
bonds (distance) C4'-P energy: -55.405
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: 14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -990.668488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.668488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.668488 (E_RNA)
where:
Base-Base interactions energy: -686.653
where: short stacking energy: -279.975
Base-Backbone interact. energy: -0.935
local terms energy: -303.080504
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -60.255
flat angles C4'-P-C4' energy: -62.307
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -85.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -956.440297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.440297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.440297 (E_RNA)
where:
Base-Base interactions energy: -639.413
where: short stacking energy: -280.062
Base-Backbone interact. energy: -1.501
local terms energy: -315.526374
where:
bonds (distance) C4'-P energy: -64.157
bonds (distance) P-C4' energy: -53.848
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -92.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -938.651802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.651802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.651802 (E_RNA)
where:
Base-Base interactions energy: -638.778
where: short stacking energy: -288.709
Base-Backbone interact. energy: -0.038
local terms energy: -299.835795
where:
bonds (distance) C4'-P energy: -46.479
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -64.141
flat angles P-C4'-P energy: -44.781
tors. eta vs tors. theta energy: -88.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -866.831560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.831560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.831560 (E_RNA)
where:
Base-Base interactions energy: -580.812
where: short stacking energy: -263.992
Base-Backbone interact. energy: -1.295
local terms energy: -284.723918
where:
bonds (distance) C4'-P energy: -60.442
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -61.093
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -81.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -857.778723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.778723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.778723 (E_RNA)
where:
Base-Base interactions energy: -566.720
where: short stacking energy: -249.678
Base-Backbone interact. energy: -1.558
local terms energy: -289.500706
where:
bonds (distance) C4'-P energy: -53.855
bonds (distance) P-C4' energy: -51.667
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -79.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -799.915674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.915674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.915674 (E_RNA)
where:
Base-Base interactions energy: -549.056
where: short stacking energy: -228.793
Base-Backbone interact. energy: -1.233
local terms energy: -249.627261
where:
bonds (distance) C4'-P energy: -51.964
bonds (distance) P-C4' energy: -52.396
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -31.620
tors. eta vs tors. theta energy: -57.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -625.265124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.265124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.265124 (E_RNA)
where:
Base-Base interactions energy: -412.239
where: short stacking energy: -199.004
Base-Backbone interact. energy: -0.890
local terms energy: -212.136531
where:
bonds (distance) C4'-P energy: -32.204
bonds (distance) P-C4' energy: -49.166
flat angles C4'-P-C4' energy: -53.190
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -45.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -510.249714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.249714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.249714 (E_RNA)
where:
Base-Base interactions energy: -336.545
where: short stacking energy: -160.831
Base-Backbone interact. energy: -0.581
local terms energy: -173.124393
where:
bonds (distance) C4'-P energy: -33.563
bonds (distance) P-C4' energy: -53.834
flat angles C4'-P-C4' energy: -47.398
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -444.681057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.681057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.681057 (E_RNA)
where:
Base-Base interactions energy: -257.197
where: short stacking energy: -118.132
Base-Backbone interact. energy: 0.044
local terms energy: -187.528097
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -48.494
flat angles C4'-P-C4' energy: -48.098
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -238.514409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.514409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.514409 (E_RNA)
where:
Base-Base interactions energy: -75.423
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.085
local terms energy: -163.006051
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -22.602
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1005.908573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.908573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.908573 (E_RNA)
where:
Base-Base interactions energy: -693.950
where: short stacking energy: -294.991
Base-Backbone interact. energy: -1.289
local terms energy: -310.669128
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -53.516
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -86.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -955.904203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.904203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.904203 (E_RNA)
where:
Base-Base interactions energy: -647.370
where: short stacking energy: -285.454
Base-Backbone interact. energy: -0.659
local terms energy: -307.875303
where:
bonds (distance) C4'-P energy: -59.887
bonds (distance) P-C4' energy: -50.306
flat angles C4'-P-C4' energy: -66.283
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: -88.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -956.550146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.550146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.550146 (E_RNA)
where:
Base-Base interactions energy: -662.998
where: short stacking energy: -297.449
Base-Backbone interact. energy: -1.737
local terms energy: -291.815098
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -65.100
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -94.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -885.719599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.719599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.719599 (E_RNA)
where:
Base-Base interactions energy: -600.181
where: short stacking energy: -253.432
Base-Backbone interact. energy: -2.247
local terms energy: -283.291940
where:
bonds (distance) C4'-P energy: -50.350
bonds (distance) P-C4' energy: -58.895
flat angles C4'-P-C4' energy: -58.104
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -73.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -845.927510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.927510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.927510 (E_RNA)
where:
Base-Base interactions energy: -571.962
where: short stacking energy: -241.419
Base-Backbone interact. energy: -1.960
local terms energy: -272.005640
where:
bonds (distance) C4'-P energy: -49.100
bonds (distance) P-C4' energy: -56.458
flat angles C4'-P-C4' energy: -61.227
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -66.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -795.444483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.444483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.444483 (E_RNA)
where:
Base-Base interactions energy: -525.357
where: short stacking energy: -225.935
Base-Backbone interact. energy: 0.728
local terms energy: -270.816427
where:
bonds (distance) C4'-P energy: -54.249
bonds (distance) P-C4' energy: -52.418
flat angles C4'-P-C4' energy: -56.570
flat angles P-C4'-P energy: -40.823
tors. eta vs tors. theta energy: -66.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -617.592306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.592306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.592306 (E_RNA)
where:
Base-Base interactions energy: -399.037
where: short stacking energy: -185.218
Base-Backbone interact. energy: 2.890
local terms energy: -221.445775
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -40.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -504.931557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.931557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.931557 (E_RNA)
where:
Base-Base interactions energy: -317.081
where: short stacking energy: -135.964
Base-Backbone interact. energy: 0.984
local terms energy: -188.834117
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -44.163
flat angles C4'-P-C4' energy: -51.984
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -457.555523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.555523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.555523 (E_RNA)
where:
Base-Base interactions energy: -283.456
where: short stacking energy: -148.630
Base-Backbone interact. energy: -0.332
local terms energy: -173.767568
where:
bonds (distance) C4'-P energy: -44.367
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -243.408314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.408314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.408314 (E_RNA)
where:
Base-Base interactions energy: -81.432
where: short stacking energy: -66.180
Base-Backbone interact. energy: 3.151
local terms energy: -165.127347
where:
bonds (distance) C4'-P energy: -51.703
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: 13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -975.632228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.632228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.632228 (E_RNA)
where:
Base-Base interactions energy: -672.999
where: short stacking energy: -305.326
Base-Backbone interact. energy: -0.931
local terms energy: -301.702059
where:
bonds (distance) C4'-P energy: -44.001
bonds (distance) P-C4' energy: -59.165
flat angles C4'-P-C4' energy: -62.962
flat angles P-C4'-P energy: -45.478
tors. eta vs tors. theta energy: -90.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -983.657843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.657843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.657843 (E_RNA)
where:
Base-Base interactions energy: -680.872
where: short stacking energy: -278.586
Base-Backbone interact. energy: 0.015
local terms energy: -302.800892
where:
bonds (distance) C4'-P energy: -51.831
bonds (distance) P-C4' energy: -56.280
flat angles C4'-P-C4' energy: -68.571
flat angles P-C4'-P energy: -45.980
tors. eta vs tors. theta energy: -80.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -947.686887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.686887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.686887 (E_RNA)
where:
Base-Base interactions energy: -665.867
where: short stacking energy: -300.063
Base-Backbone interact. energy: -0.278
local terms energy: -281.542447
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -91.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -857.913654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.913654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.913654 (E_RNA)
where:
Base-Base interactions energy: -579.645
where: short stacking energy: -246.323
Base-Backbone interact. energy: -1.658
local terms energy: -276.610589
where:
bonds (distance) C4'-P energy: -58.019
bonds (distance) P-C4' energy: -49.443
flat angles C4'-P-C4' energy: -62.476
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -72.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -861.650011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.650011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.650011 (E_RNA)
where:
Base-Base interactions energy: -568.195
where: short stacking energy: -253.047
Base-Backbone interact. energy: -1.074
local terms energy: -292.381338
where:
bonds (distance) C4'-P energy: -54.893
bonds (distance) P-C4' energy: -62.045
flat angles C4'-P-C4' energy: -63.299
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -71.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -803.545541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.545541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.545541 (E_RNA)
where:
Base-Base interactions energy: -521.007
where: short stacking energy: -238.402
Base-Backbone interact. energy: -1.962
local terms energy: -280.576769
where:
bonds (distance) C4'-P energy: -51.540
bonds (distance) P-C4' energy: -61.969
flat angles C4'-P-C4' energy: -61.782
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -68.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -662.904654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.904654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.904654 (E_RNA)
where:
Base-Base interactions energy: -437.082
where: short stacking energy: -196.488
Base-Backbone interact. energy: -1.583
local terms energy: -224.239850
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -45.393
flat angles C4'-P-C4' energy: -57.328
flat angles P-C4'-P energy: -37.794
tors. eta vs tors. theta energy: -44.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -499.473182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.473182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.473182 (E_RNA)
where:
Base-Base interactions energy: -296.739
where: short stacking energy: -147.296
Base-Backbone interact. energy: 2.830
local terms energy: -205.563707
where:
bonds (distance) C4'-P energy: -54.440
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -29.535
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -429.793210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.793210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.793210 (E_RNA)
where:
Base-Base interactions energy: -248.304
where: short stacking energy: -119.873
Base-Backbone interact. energy: -0.915
local terms energy: -180.574517
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -244.140739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.140739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.140739 (E_RNA)
where:
Base-Base interactions energy: -83.662
where: short stacking energy: -70.216
Base-Backbone interact. energy: -3.025
local terms energy: -157.454122
where:
bonds (distance) C4'-P energy: -50.549
bonds (distance) P-C4' energy: -52.160
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -27.035
tors. eta vs tors. theta energy: 8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -966.908867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.908867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.908867 (E_RNA)
where:
Base-Base interactions energy: -653.790
where: short stacking energy: -290.791
Base-Backbone interact. energy: 0.931
local terms energy: -314.049713
where:
bonds (distance) C4'-P energy: -56.675
bonds (distance) P-C4' energy: -55.602
flat angles C4'-P-C4' energy: -65.641
flat angles P-C4'-P energy: -44.477
tors. eta vs tors. theta energy: -91.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -976.524479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.524479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.524479 (E_RNA)
where:
Base-Base interactions energy: -666.265
where: short stacking energy: -282.236
Base-Backbone interact. energy: -0.176
local terms energy: -310.083590
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: -86.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -934.478614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.478614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.478614 (E_RNA)
where:
Base-Base interactions energy: -650.841
where: short stacking energy: -285.314
Base-Backbone interact. energy: 3.715
local terms energy: -287.352777
where:
bonds (distance) C4'-P energy: -50.212
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -58.679
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -81.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -876.001269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.001269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.001269 (E_RNA)
where:
Base-Base interactions energy: -581.001
where: short stacking energy: -267.886
Base-Backbone interact. energy: 1.053
local terms energy: -296.053379
where:
bonds (distance) C4'-P energy: -49.187
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -65.688
flat angles P-C4'-P energy: -37.940
tors. eta vs tors. theta energy: -83.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -872.111373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.111373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.111373 (E_RNA)
where:
Base-Base interactions energy: -597.882
where: short stacking energy: -262.667
Base-Backbone interact. energy: -1.043
local terms energy: -273.187093
where:
bonds (distance) C4'-P energy: -55.845
bonds (distance) P-C4' energy: -49.609
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -73.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -805.598326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.598326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.598326 (E_RNA)
where:
Base-Base interactions energy: -540.204
where: short stacking energy: -219.008
Base-Backbone interact. energy: -1.334
local terms energy: -264.060743
where:
bonds (distance) C4'-P energy: -48.019
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -35.927
tors. eta vs tors. theta energy: -65.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -578.662108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.662108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.662108 (E_RNA)
where:
Base-Base interactions energy: -370.775
where: short stacking energy: -163.286
Base-Backbone interact. energy: -0.756
local terms energy: -207.130387
where:
bonds (distance) C4'-P energy: -48.588
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -45.412
flat angles P-C4'-P energy: -34.319
tors. eta vs tors. theta energy: -32.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -477.195868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.195868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.195868 (E_RNA)
where:
Base-Base interactions energy: -284.669
where: short stacking energy: -156.551
Base-Backbone interact. energy: 0.332
local terms energy: -192.858775
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -49.519
flat angles C4'-P-C4' energy: -43.845
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -445.198074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.198074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.198074 (E_RNA)
where:
Base-Base interactions energy: -264.999
where: short stacking energy: -126.031
Base-Backbone interact. energy: -1.082
local terms energy: -179.116540
where:
bonds (distance) C4'-P energy: -47.549
bonds (distance) P-C4' energy: -45.824
flat angles C4'-P-C4' energy: -49.633
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -250.651300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.651300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.651300 (E_RNA)
where:
Base-Base interactions energy: -109.414
where: short stacking energy: -74.830
Base-Backbone interact. energy: 1.006
local terms energy: -142.243821
where:
bonds (distance) C4'-P energy: -40.840
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -988.099971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.099971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.099971 (E_RNA)
where:
Base-Base interactions energy: -683.528
where: short stacking energy: -296.043
Base-Backbone interact. energy: -1.193
local terms energy: -303.378566
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -55.755
flat angles C4'-P-C4' energy: -65.601
flat angles P-C4'-P energy: -46.574
tors. eta vs tors. theta energy: -82.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -971.145202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.145202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.145202 (E_RNA)
where:
Base-Base interactions energy: -655.706
where: short stacking energy: -289.565
Base-Backbone interact. energy: -0.429
local terms energy: -315.010491
where:
bonds (distance) C4'-P energy: -58.239
bonds (distance) P-C4' energy: -64.213
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -91.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -948.707736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.707736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.707736 (E_RNA)
where:
Base-Base interactions energy: -645.434
where: short stacking energy: -289.542
Base-Backbone interact. energy: -1.053
local terms energy: -302.221469
where:
bonds (distance) C4'-P energy: -60.467
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -82.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -894.873085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.873085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.873085 (E_RNA)
where:
Base-Base interactions energy: -620.080
where: short stacking energy: -280.465
Base-Backbone interact. energy: -0.716
local terms energy: -274.077710
where:
bonds (distance) C4'-P energy: -51.165
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -80.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -868.333776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.333776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.333776 (E_RNA)
where:
Base-Base interactions energy: -600.940
where: short stacking energy: -261.359
Base-Backbone interact. energy: -0.789
local terms energy: -266.604172
where:
bonds (distance) C4'-P energy: -47.019
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -41.147
tors. eta vs tors. theta energy: -69.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -799.018733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.018733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.018733 (E_RNA)
where:
Base-Base interactions energy: -537.600
where: short stacking energy: -234.645
Base-Backbone interact. energy: -2.686
local terms energy: -258.733602
where:
bonds (distance) C4'-P energy: -46.590
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -58.171
flat angles P-C4'-P energy: -41.452
tors. eta vs tors. theta energy: -71.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -617.827691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.827691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.827691 (E_RNA)
where:
Base-Base interactions energy: -381.730
where: short stacking energy: -184.154
Base-Backbone interact. energy: -0.430
local terms energy: -235.667838
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -34.330
tors. eta vs tors. theta energy: -54.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -514.397515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.397515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.397515 (E_RNA)
where:
Base-Base interactions energy: -317.135
where: short stacking energy: -152.689
Base-Backbone interact. energy: -0.702
local terms energy: -196.559887
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -45.681
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -456.908703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.908703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.908703 (E_RNA)
where:
Base-Base interactions energy: -256.543
where: short stacking energy: -136.507
Base-Backbone interact. energy: -0.816
local terms energy: -199.549463
where:
bonds (distance) C4'-P energy: -49.998
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -46.608
flat angles P-C4'-P energy: -35.902
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -231.071096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.071096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.071096 (E_RNA)
where:
Base-Base interactions energy: -82.598
where: short stacking energy: -65.000
Base-Backbone interact. energy: -2.481
local terms energy: -145.991579
where:
bonds (distance) C4'-P energy: -39.843
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -33.292
tors. eta vs tors. theta energy: 13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -986.278752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.278752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.278752 (E_RNA)
where:
Base-Base interactions energy: -683.955
where: short stacking energy: -294.338
Base-Backbone interact. energy: -1.561
local terms energy: -300.762651
where:
bonds (distance) C4'-P energy: -58.570
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -65.673
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: -80.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -970.746110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.746110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.746110 (E_RNA)
where:
Base-Base interactions energy: -659.817
where: short stacking energy: -291.585
Base-Backbone interact. energy: -0.150
local terms energy: -310.778773
where:
bonds (distance) C4'-P energy: -49.944
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -64.459
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -92.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -956.530767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.530767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.530767 (E_RNA)
where:
Base-Base interactions energy: -651.116
where: short stacking energy: -303.011
Base-Backbone interact. energy: -0.434
local terms energy: -304.981074
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -55.369
flat angles C4'-P-C4' energy: -61.896
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -94.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -869.748956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.748956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.748956 (E_RNA)
where:
Base-Base interactions energy: -579.126
where: short stacking energy: -265.926
Base-Backbone interact. energy: -0.909
local terms energy: -289.714488
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -61.716
flat angles C4'-P-C4' energy: -55.120
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -74.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -839.766433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.766433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.766433 (E_RNA)
where:
Base-Base interactions energy: -578.033
where: short stacking energy: -243.584
Base-Backbone interact. energy: -1.274
local terms energy: -260.458819
where:
bonds (distance) C4'-P energy: -44.279
bonds (distance) P-C4' energy: -57.944
flat angles C4'-P-C4' energy: -54.755
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -67.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -771.257286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.257286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.257286 (E_RNA)
where:
Base-Base interactions energy: -499.140
where: short stacking energy: -227.575
Base-Backbone interact. energy: -1.564
local terms energy: -270.552912
where:
bonds (distance) C4'-P energy: -52.431
bonds (distance) P-C4' energy: -51.275
flat angles C4'-P-C4' energy: -58.163
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -68.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -572.941561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.941561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.941561 (E_RNA)
where:
Base-Base interactions energy: -377.021
where: short stacking energy: -163.768
Base-Backbone interact. energy: -2.595
local terms energy: -193.326092
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -21.543
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -545.028636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.028636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.028636 (E_RNA)
where:
Base-Base interactions energy: -333.964
where: short stacking energy: -159.666
Base-Backbone interact. energy: -1.258
local terms energy: -209.807232
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -47.279
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -30.592
tors. eta vs tors. theta energy: -34.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -434.955829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.955829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.955829 (E_RNA)
where:
Base-Base interactions energy: -261.628
where: short stacking energy: -111.878
Base-Backbone interact. energy: 0.098
local terms energy: -173.425703
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -40.930
flat angles C4'-P-C4' energy: -46.596
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -257.502203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.502203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.502203 (E_RNA)
where:
Base-Base interactions energy: -103.263
where: short stacking energy: -85.229
Base-Backbone interact. energy: 0.423
local terms energy: -154.661628
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -42.513
flat angles P-C4'-P energy: -26.387
tors. eta vs tors. theta energy: 1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -983.435072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.435072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.435072 (E_RNA)
where:
Base-Base interactions energy: -668.501
where: short stacking energy: -291.701
Base-Backbone interact. energy: -1.570
local terms energy: -313.364750
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -62.127
flat angles C4'-P-C4' energy: -66.631
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: -80.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -978.766450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.766450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.766450 (E_RNA)
where:
Base-Base interactions energy: -672.893
where: short stacking energy: -301.029
Base-Backbone interact. energy: 0.011
local terms energy: -305.884209
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -39.153
tors. eta vs tors. theta energy: -90.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -962.496861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.496861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.496861 (E_RNA)
where:
Base-Base interactions energy: -652.823
where: short stacking energy: -284.639
Base-Backbone interact. energy: -0.062
local terms energy: -309.611333
where:
bonds (distance) C4'-P energy: -49.722
bonds (distance) P-C4' energy: -59.853
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -45.631
tors. eta vs tors. theta energy: -88.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -876.932294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.932294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.932294 (E_RNA)
where:
Base-Base interactions energy: -592.039
where: short stacking energy: -262.339
Base-Backbone interact. energy: -4.123
local terms energy: -280.770538
where:
bonds (distance) C4'-P energy: -55.660
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -78.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -865.944341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.944341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.944341 (E_RNA)
where:
Base-Base interactions energy: -589.193
where: short stacking energy: -259.284
Base-Backbone interact. energy: -0.604
local terms energy: -276.147125
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -75.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -750.679497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.679497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.679497 (E_RNA)
where:
Base-Base interactions energy: -515.245
where: short stacking energy: -228.633
Base-Backbone interact. energy: -0.807
local terms energy: -234.627741
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -50.758
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -31.663
tors. eta vs tors. theta energy: -61.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -598.966808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.966808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.966808 (E_RNA)
where:
Base-Base interactions energy: -358.432
where: short stacking energy: -174.203
Base-Backbone interact. energy: -1.067
local terms energy: -239.468326
where:
bonds (distance) C4'-P energy: -51.732
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -32.063
tors. eta vs tors. theta energy: -41.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -577.393386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.393386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.393386 (E_RNA)
where:
Base-Base interactions energy: -365.130
where: short stacking energy: -164.520
Base-Backbone interact. energy: 3.798
local terms energy: -216.061449
where:
bonds (distance) C4'-P energy: -55.024
bonds (distance) P-C4' energy: -40.980
flat angles C4'-P-C4' energy: -52.331
flat angles P-C4'-P energy: -37.406
tors. eta vs tors. theta energy: -30.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -406.288378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.288378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.288378 (E_RNA)
where:
Base-Base interactions energy: -242.908
where: short stacking energy: -114.637
Base-Backbone interact. energy: -1.029
local terms energy: -162.350632
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -46.528
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -6.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -240.299107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.299107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.299107 (E_RNA)
where:
Base-Base interactions energy: -77.019
where: short stacking energy: -66.737
Base-Backbone interact. energy: 2.698
local terms energy: -165.977959
where:
bonds (distance) C4'-P energy: -54.460
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: 3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -985.094810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.094810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.094810 (E_RNA)
where:
Base-Base interactions energy: -679.569
where: short stacking energy: -287.529
Base-Backbone interact. energy: -2.052
local terms energy: -303.474111
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -60.212
flat angles C4'-P-C4' energy: -66.151
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: -81.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -981.194779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.194779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.194779 (E_RNA)
where:
Base-Base interactions energy: -667.561
where: short stacking energy: -298.402
Base-Backbone interact. energy: -0.769
local terms energy: -312.864970
where:
bonds (distance) C4'-P energy: -59.853
bonds (distance) P-C4' energy: -54.172
flat angles C4'-P-C4' energy: -56.784
flat angles P-C4'-P energy: -47.464
tors. eta vs tors. theta energy: -94.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -928.704648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.704648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.704648 (E_RNA)
where:
Base-Base interactions energy: -634.432
where: short stacking energy: -286.210
Base-Backbone interact. energy: 1.107
local terms energy: -295.379711
where:
bonds (distance) C4'-P energy: -41.511
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -64.197
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -89.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -884.428066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.428066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.428066 (E_RNA)
where:
Base-Base interactions energy: -585.222
where: short stacking energy: -268.271
Base-Backbone interact. energy: 0.593
local terms energy: -299.799146
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -63.499
flat angles C4'-P-C4' energy: -61.199
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: -78.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -886.266213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.266213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.266213 (E_RNA)
where:
Base-Base interactions energy: -601.921
where: short stacking energy: -268.191
Base-Backbone interact. energy: -0.041
local terms energy: -284.304075
where:
bonds (distance) C4'-P energy: -49.530
bonds (distance) P-C4' energy: -59.247
flat angles C4'-P-C4' energy: -59.362
flat angles P-C4'-P energy: -35.254
tors. eta vs tors. theta energy: -80.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -783.942328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.942328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.942328 (E_RNA)
where:
Base-Base interactions energy: -536.303
where: short stacking energy: -210.718
Base-Backbone interact. energy: -1.780
local terms energy: -245.859511
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -50.936
flat angles C4'-P-C4' energy: -55.155
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -56.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -631.150970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.150970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.150970 (E_RNA)
where:
Base-Base interactions energy: -393.694
where: short stacking energy: -192.508
Base-Backbone interact. energy: 2.130
local terms energy: -239.587529
where:
bonds (distance) C4'-P energy: -57.078
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -43.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -563.594357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.594357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.594357 (E_RNA)
where:
Base-Base interactions energy: -347.624
where: short stacking energy: -173.238
Base-Backbone interact. energy: -0.880
local terms energy: -215.090603
where:
bonds (distance) C4'-P energy: -54.762
bonds (distance) P-C4' energy: -48.941
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -31.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -410.769335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.769335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.769335 (E_RNA)
where:
Base-Base interactions energy: -241.037
where: short stacking energy: -119.054
Base-Backbone interact. energy: -2.382
local terms energy: -167.350530
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -46.239
flat angles C4'-P-C4' energy: -41.777
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -249.599621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.599621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.599621 (E_RNA)
where:
Base-Base interactions energy: -81.512
where: short stacking energy: -57.257
Base-Backbone interact. energy: 2.301
local terms energy: -170.389480
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -49.739
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: 9.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -979.426164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.426164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.426164 (E_RNA)
where:
Base-Base interactions energy: -686.356
where: short stacking energy: -285.036
Base-Backbone interact. energy: -0.892
local terms energy: -292.178210
where:
bonds (distance) C4'-P energy: -66.305
bonds (distance) P-C4' energy: -46.866
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -82.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -985.035179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.035179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.035179 (E_RNA)
where:
Base-Base interactions energy: -679.074
where: short stacking energy: -311.096
Base-Backbone interact. energy: -1.072
local terms energy: -304.889478
where:
bonds (distance) C4'-P energy: -51.135
bonds (distance) P-C4' energy: -56.678
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -41.845
tors. eta vs tors. theta energy: -96.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -920.708797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.708797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.708797 (E_RNA)
where:
Base-Base interactions energy: -621.909
where: short stacking energy: -276.268
Base-Backbone interact. energy: -2.796
local terms energy: -296.003524
where:
bonds (distance) C4'-P energy: -55.213
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -67.659
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -76.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -889.449018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.449018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.449018 (E_RNA)
where:
Base-Base interactions energy: -590.281
where: short stacking energy: -273.371
Base-Backbone interact. energy: -1.780
local terms energy: -297.388185
where:
bonds (distance) C4'-P energy: -58.763
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -65.557
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -78.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -845.170227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.170227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.170227 (E_RNA)
where:
Base-Base interactions energy: -583.267
where: short stacking energy: -254.265
Base-Backbone interact. energy: -0.749
local terms energy: -261.154118
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -55.597
flat angles C4'-P-C4' energy: -59.659
flat angles P-C4'-P energy: -33.154
tors. eta vs tors. theta energy: -76.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -781.544970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.544970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.544970 (E_RNA)
where:
Base-Base interactions energy: -524.030
where: short stacking energy: -227.344
Base-Backbone interact. energy: -5.338
local terms energy: -252.176988
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -43.601
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -70.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -604.605431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.605431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.605431 (E_RNA)
where:
Base-Base interactions energy: -384.713
where: short stacking energy: -177.681
Base-Backbone interact. energy: 0.548
local terms energy: -220.440401
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -52.820
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -39.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -568.224408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.224408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.224408 (E_RNA)
where:
Base-Base interactions energy: -356.955
where: short stacking energy: -172.088
Base-Backbone interact. energy: -1.239
local terms energy: -210.030566
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -35.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -440.016778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.016778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.016778 (E_RNA)
where:
Base-Base interactions energy: -261.016
where: short stacking energy: -107.961
Base-Backbone interact. energy: -3.141
local terms energy: -175.859648
where:
bonds (distance) C4'-P energy: -45.525
bonds (distance) P-C4' energy: -42.507
flat angles C4'-P-C4' energy: -45.848
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -248.082030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.082030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.082030 (E_RNA)
where:
Base-Base interactions energy: -87.702
where: short stacking energy: -71.930
Base-Backbone interact. energy: 0.862
local terms energy: -161.241464
where:
bonds (distance) C4'-P energy: -55.845
bonds (distance) P-C4' energy: -51.182
flat angles C4'-P-C4' energy: -47.657
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: 5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -965.744587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.744587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.744587 (E_RNA)
where:
Base-Base interactions energy: -656.464
where: short stacking energy: -279.274
Base-Backbone interact. energy: -2.027
local terms energy: -307.253315
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -63.898
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -82.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -973.818241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.818241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.818241 (E_RNA)
where:
Base-Base interactions energy: -660.937
where: short stacking energy: -292.629
Base-Backbone interact. energy: -1.137
local terms energy: -311.744102
where:
bonds (distance) C4'-P energy: -52.627
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -96.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -925.907713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.907713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.907713 (E_RNA)
where:
Base-Base interactions energy: -630.481
where: short stacking energy: -291.119
Base-Backbone interact. energy: 0.335
local terms energy: -295.761437
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -61.176
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -83.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -896.148238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.148238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.148238 (E_RNA)
where:
Base-Base interactions energy: -603.506
where: short stacking energy: -254.890
Base-Backbone interact. energy: 0.326
local terms energy: -292.967419
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -60.544
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -76.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -843.607039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.607039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.607039 (E_RNA)
where:
Base-Base interactions energy: -565.459
where: short stacking energy: -260.024
Base-Backbone interact. energy: -0.478
local terms energy: -277.669790
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -56.911
flat angles C4'-P-C4' energy: -49.942
flat angles P-C4'-P energy: -38.947
tors. eta vs tors. theta energy: -79.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -817.031467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.031467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.031467 (E_RNA)
where:
Base-Base interactions energy: -553.997
where: short stacking energy: -256.709
Base-Backbone interact. energy: -1.255
local terms energy: -261.779556
where:
bonds (distance) C4'-P energy: -56.630
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -53.405
flat angles P-C4'-P energy: -32.130
tors. eta vs tors. theta energy: -67.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -594.359793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.359793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.359793 (E_RNA)
where:
Base-Base interactions energy: -372.146
where: short stacking energy: -160.897
Base-Backbone interact. energy: 2.599
local terms energy: -224.812471
where:
bonds (distance) C4'-P energy: -49.180
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -42.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -532.978909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.978909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.978909 (E_RNA)
where:
Base-Base interactions energy: -326.625
where: short stacking energy: -151.959
Base-Backbone interact. energy: 1.835
local terms energy: -208.188615
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -34.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -425.303854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.303854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.303854 (E_RNA)
where:
Base-Base interactions energy: -226.559
where: short stacking energy: -111.023
Base-Backbone interact. energy: -2.617
local terms energy: -196.128090
where:
bonds (distance) C4'-P energy: -46.991
bonds (distance) P-C4' energy: -44.531
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -237.699415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.699415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.699415 (E_RNA)
where:
Base-Base interactions energy: -84.478
where: short stacking energy: -70.617
Base-Backbone interact. energy: -1.384
local terms energy: -151.837671
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -48.200
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -17.337
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -983.176577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.176577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.176577 (E_RNA)
where:
Base-Base interactions energy: -674.320
where: short stacking energy: -279.425
Base-Backbone interact. energy: -0.652
local terms energy: -308.204639
where:
bonds (distance) C4'-P energy: -58.449
bonds (distance) P-C4' energy: -56.612
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -45.776
tors. eta vs tors. theta energy: -81.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -979.090888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.090888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.090888 (E_RNA)
where:
Base-Base interactions energy: -671.258
where: short stacking energy: -285.261
Base-Backbone interact. energy: -1.301
local terms energy: -306.531541
where:
bonds (distance) C4'-P energy: -53.203
bonds (distance) P-C4' energy: -58.906
flat angles C4'-P-C4' energy: -61.025
flat angles P-C4'-P energy: -37.584
tors. eta vs tors. theta energy: -95.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -931.393133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.393133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.393133 (E_RNA)
where:
Base-Base interactions energy: -636.235
where: short stacking energy: -273.609
Base-Backbone interact. energy: -0.860
local terms energy: -294.297467
where:
bonds (distance) C4'-P energy: -57.430
bonds (distance) P-C4' energy: -54.213
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -42.426
tors. eta vs tors. theta energy: -77.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -874.540702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.540702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.540702 (E_RNA)
where:
Base-Base interactions energy: -608.638
where: short stacking energy: -268.805
Base-Backbone interact. energy: -1.711
local terms energy: -264.191413
where:
bonds (distance) C4'-P energy: -45.903
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -52.123
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -81.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -823.204159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.204159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.204159 (E_RNA)
where:
Base-Base interactions energy: -566.263
where: short stacking energy: -267.676
Base-Backbone interact. energy: -1.232
local terms energy: -255.708886
where:
bonds (distance) C4'-P energy: -40.873
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -57.010
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -72.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -759.248857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.248857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.248857 (E_RNA)
where:
Base-Base interactions energy: -490.362
where: short stacking energy: -221.151
Base-Backbone interact. energy: 0.944
local terms energy: -269.830244
where:
bonds (distance) C4'-P energy: -52.305
bonds (distance) P-C4' energy: -59.652
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -68.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -585.861728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.861728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.861728 (E_RNA)
where:
Base-Base interactions energy: -370.407
where: short stacking energy: -176.390
Base-Backbone interact. energy: 2.989
local terms energy: -218.443434
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -41.725
flat angles C4'-P-C4' energy: -46.265
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -39.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -544.589147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.589147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.589147 (E_RNA)
where:
Base-Base interactions energy: -327.464
where: short stacking energy: -162.643
Base-Backbone interact. energy: 2.977
local terms energy: -220.102777
where:
bonds (distance) C4'-P energy: -45.551
bonds (distance) P-C4' energy: -55.738
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -474.290735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.290735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.290735 (E_RNA)
where:
Base-Base interactions energy: -281.522
where: short stacking energy: -131.241
Base-Backbone interact. energy: -0.311
local terms energy: -192.457913
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -58.227
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -31.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -219.099931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.099931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.099931 (E_RNA)
where:
Base-Base interactions energy: -84.587
where: short stacking energy: -63.676
Base-Backbone interact. energy: -0.963
local terms energy: -133.549816
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: 8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -989.053878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.053878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.053878 (E_RNA)
where:
Base-Base interactions energy: -680.190
where: short stacking energy: -273.285
Base-Backbone interact. energy: 0.830
local terms energy: -309.693859
where:
bonds (distance) C4'-P energy: -57.716
bonds (distance) P-C4' energy: -56.598
flat angles C4'-P-C4' energy: -61.363
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -83.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -950.457459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.457459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.457459 (E_RNA)
where:
Base-Base interactions energy: -659.547
where: short stacking energy: -294.489
Base-Backbone interact. energy: 1.075
local terms energy: -291.985446
where:
bonds (distance) C4'-P energy: -47.634
bonds (distance) P-C4' energy: -53.587
flat angles C4'-P-C4' energy: -64.249
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -82.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -966.450780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.450780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.450780 (E_RNA)
where:
Base-Base interactions energy: -670.216
where: short stacking energy: -298.880
Base-Backbone interact. energy: -0.631
local terms energy: -295.604192
where:
bonds (distance) C4'-P energy: -49.153
bonds (distance) P-C4' energy: -52.076
flat angles C4'-P-C4' energy: -57.211
flat angles P-C4'-P energy: -44.485
tors. eta vs tors. theta energy: -92.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -904.048000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.048000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.048000 (E_RNA)
where:
Base-Base interactions energy: -607.838
where: short stacking energy: -257.239
Base-Backbone interact. energy: -0.479
local terms energy: -295.730645
where:
bonds (distance) C4'-P energy: -63.278
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -79.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -864.104621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.104621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.104621 (E_RNA)
where:
Base-Base interactions energy: -582.421
where: short stacking energy: -255.554
Base-Backbone interact. energy: -0.574
local terms energy: -281.109646
where:
bonds (distance) C4'-P energy: -55.751
bonds (distance) P-C4' energy: -51.908
flat angles C4'-P-C4' energy: -63.430
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -77.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -786.581419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.581419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.581419 (E_RNA)
where:
Base-Base interactions energy: -526.748
where: short stacking energy: -215.481
Base-Backbone interact. energy: -0.774
local terms energy: -259.059668
where:
bonds (distance) C4'-P energy: -41.511
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -32.275
tors. eta vs tors. theta energy: -65.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -585.328710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.328710 (E_RNA)
where:
Base-Base interactions energy: -358.104
where: short stacking energy: -172.383
Base-Backbone interact. energy: -0.640
local terms energy: -226.584145
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -54.298
flat angles C4'-P-C4' energy: -51.374
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: -50.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -500.354333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.354333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.354333 (E_RNA)
where:
Base-Base interactions energy: -293.812
where: short stacking energy: -149.593
Base-Backbone interact. energy: -0.989
local terms energy: -205.553968
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -53.376
flat angles C4'-P-C4' energy: -50.797
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -24.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -440.132224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.132224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.132224 (E_RNA)
where:
Base-Base interactions energy: -254.059
where: short stacking energy: -137.461
Base-Backbone interact. energy: -0.789
local terms energy: -185.284795
where:
bonds (distance) C4'-P energy: -50.372
bonds (distance) P-C4' energy: -38.542
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -262.755856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.755856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.755856 (E_RNA)
where:
Base-Base interactions energy: -111.475
where: short stacking energy: -84.126
Base-Backbone interact. energy: 3.737
local terms energy: -155.018506
where:
bonds (distance) C4'-P energy: -40.652
bonds (distance) P-C4' energy: -49.322
flat angles C4'-P-C4' energy: -43.829
flat angles P-C4'-P energy: -28.961
tors. eta vs tors. theta energy: 7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -999.357558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.357558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.357558 (E_RNA)
where:
Base-Base interactions energy: -685.174
where: short stacking energy: -292.081
Base-Backbone interact. energy: -2.803
local terms energy: -311.380208
where:
bonds (distance) C4'-P energy: -60.795
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -86.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -979.713180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.713180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.713180 (E_RNA)
where:
Base-Base interactions energy: -672.493
where: short stacking energy: -282.745
Base-Backbone interact. energy: -2.466
local terms energy: -304.754535
where:
bonds (distance) C4'-P energy: -60.264
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -62.060
flat angles P-C4'-P energy: -45.200
tors. eta vs tors. theta energy: -82.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -958.996052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.996052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.996052 (E_RNA)
where:
Base-Base interactions energy: -641.959
where: short stacking energy: -304.507
Base-Backbone interact. energy: -0.693
local terms energy: -316.344088
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -65.666
flat angles P-C4'-P energy: -45.243
tors. eta vs tors. theta energy: -93.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -878.078925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.078925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.078925 (E_RNA)
where:
Base-Base interactions energy: -601.231
where: short stacking energy: -263.332
Base-Backbone interact. energy: 1.445
local terms energy: -278.293282
where:
bonds (distance) C4'-P energy: -49.968
bonds (distance) P-C4' energy: -53.880
flat angles C4'-P-C4' energy: -58.255
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -77.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -874.107645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.107645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.107645 (E_RNA)
where:
Base-Base interactions energy: -598.631
where: short stacking energy: -259.875
Base-Backbone interact. energy: -0.295
local terms energy: -275.181596
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -55.985
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -82.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -779.149316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.149316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.149316 (E_RNA)
where:
Base-Base interactions energy: -513.024
where: short stacking energy: -233.460
Base-Backbone interact. energy: 0.011
local terms energy: -266.136504
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -58.982
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -76.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -532.102978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.102978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.102978 (E_RNA)
where:
Base-Base interactions energy: -323.195
where: short stacking energy: -179.889
Base-Backbone interact. energy: 1.423
local terms energy: -210.330849
where:
bonds (distance) C4'-P energy: -42.572
bonds (distance) P-C4' energy: -52.625
flat angles C4'-P-C4' energy: -42.520
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -33.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -566.870956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.870956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.870956 (E_RNA)
where:
Base-Base interactions energy: -366.887
where: short stacking energy: -160.184
Base-Backbone interact. energy: -0.910
local terms energy: -199.073502
where:
bonds (distance) C4'-P energy: -43.724
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -41.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -436.218517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.218517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.218517 (E_RNA)
where:
Base-Base interactions energy: -265.056
where: short stacking energy: -131.144
Base-Backbone interact. energy: -0.639
local terms energy: -170.523090
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -50.444
flat angles C4'-P-C4' energy: -41.929
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -257.312945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.312945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.312945 (E_RNA)
where:
Base-Base interactions energy: -102.573
where: short stacking energy: -59.167
Base-Backbone interact. energy: 1.050
local terms energy: -155.790452
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: 6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1026.324166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.324166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.324166 (E_RNA)
where:
Base-Base interactions energy: -699.801
where: short stacking energy: -295.477
Base-Backbone interact. energy: -1.470
local terms energy: -325.053579
where:
bonds (distance) C4'-P energy: -60.575
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -67.499
flat angles P-C4'-P energy: -52.047
tors. eta vs tors. theta energy: -84.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -965.516180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.516180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.516180 (E_RNA)
where:
Base-Base interactions energy: -653.769
where: short stacking energy: -301.256
Base-Backbone interact. energy: -0.379
local terms energy: -311.368052
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -60.984
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -49.492
tors. eta vs tors. theta energy: -92.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -952.584296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.584296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.584296 (E_RNA)
where:
Base-Base interactions energy: -657.189
where: short stacking energy: -287.243
Base-Backbone interact. energy: -0.577
local terms energy: -294.818220
where:
bonds (distance) C4'-P energy: -57.256
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -65.741
flat angles P-C4'-P energy: -35.589
tors. eta vs tors. theta energy: -87.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -912.361680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.361680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.361680 (E_RNA)
where:
Base-Base interactions energy: -614.540
where: short stacking energy: -267.074
Base-Backbone interact. energy: -0.057
local terms energy: -297.764579
where:
bonds (distance) C4'-P energy: -54.327
bonds (distance) P-C4' energy: -64.275
flat angles C4'-P-C4' energy: -60.851
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -82.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -848.779663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.779663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.779663 (E_RNA)
where:
Base-Base interactions energy: -576.034
where: short stacking energy: -259.191
Base-Backbone interact. energy: 0.210
local terms energy: -272.955262
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -76.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -790.463910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.463910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.463910 (E_RNA)
where:
Base-Base interactions energy: -519.330
where: short stacking energy: -225.380
Base-Backbone interact. energy: 1.348
local terms energy: -272.481043
where:
bonds (distance) C4'-P energy: -51.911
bonds (distance) P-C4' energy: -57.280
flat angles C4'-P-C4' energy: -50.662
flat angles P-C4'-P energy: -40.734
tors. eta vs tors. theta energy: -71.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -635.518491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.518491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.518491 (E_RNA)
where:
Base-Base interactions energy: -421.026
where: short stacking energy: -185.093
Base-Backbone interact. energy: -0.851
local terms energy: -213.641701
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -45.068
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -31.274
tors. eta vs tors. theta energy: -35.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -490.591641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.591641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.591641 (E_RNA)
where:
Base-Base interactions energy: -303.025
where: short stacking energy: -142.302
Base-Backbone interact. energy: -0.433
local terms energy: -187.133688
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -37.929
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -29.053
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -571.151739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.151739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.151739 (E_RNA)
where:
Base-Base interactions energy: -367.255
where: short stacking energy: -169.187
Base-Backbone interact. energy: -1.801
local terms energy: -202.096048
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -40.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -270.916410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.916410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.916410 (E_RNA)
where:
Base-Base interactions energy: -110.944
where: short stacking energy: -83.957
Base-Backbone interact. energy: 0.293
local terms energy: -160.265323
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -56.488
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -991.265023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.265023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.265023 (E_RNA)
where:
Base-Base interactions energy: -689.712
where: short stacking energy: -287.369
Base-Backbone interact. energy: -2.193
local terms energy: -299.359714
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -67.181
flat angles P-C4'-P energy: -44.470
tors. eta vs tors. theta energy: -80.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -973.498693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.498693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.498693 (E_RNA)
where:
Base-Base interactions energy: -656.387
where: short stacking energy: -301.675
Base-Backbone interact. energy: -0.928
local terms energy: -316.183660
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -63.022
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -44.363
tors. eta vs tors. theta energy: -93.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -960.581319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.581319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.581319 (E_RNA)
where:
Base-Base interactions energy: -663.899
where: short stacking energy: -281.132
Base-Backbone interact. energy: -0.869
local terms energy: -295.812839
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -63.004
flat angles P-C4'-P energy: -36.968
tors. eta vs tors. theta energy: -88.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -924.115484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.115484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.115484 (E_RNA)
where:
Base-Base interactions energy: -642.380
where: short stacking energy: -283.251
Base-Backbone interact. energy: -1.342
local terms energy: -280.394100
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -35.848
tors. eta vs tors. theta energy: -85.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -828.465152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.465152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.465152 (E_RNA)
where:
Base-Base interactions energy: -563.184
where: short stacking energy: -253.083
Base-Backbone interact. energy: -1.043
local terms energy: -264.238193
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -53.096
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -70.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -807.577726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.577726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.577726 (E_RNA)
where:
Base-Base interactions energy: -561.768
where: short stacking energy: -255.732
Base-Backbone interact. energy: 3.715
local terms energy: -249.524512
where:
bonds (distance) C4'-P energy: -40.932
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -59.526
flat angles P-C4'-P energy: -32.727
tors. eta vs tors. theta energy: -73.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -627.373994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.373994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.373994 (E_RNA)
where:
Base-Base interactions energy: -393.318
where: short stacking energy: -169.790
Base-Backbone interact. energy: -1.390
local terms energy: -232.666018
where:
bonds (distance) C4'-P energy: -50.025
bonds (distance) P-C4' energy: -51.412
flat angles C4'-P-C4' energy: -48.341
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: -45.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -478.498151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.498151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.498151 (E_RNA)
where:
Base-Base interactions energy: -276.695
where: short stacking energy: -161.407
Base-Backbone interact. energy: -2.062
local terms energy: -199.740664
where:
bonds (distance) C4'-P energy: -48.549
bonds (distance) P-C4' energy: -51.413
flat angles C4'-P-C4' energy: -54.092
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -524.258343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.258343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.258343 (E_RNA)
where:
Base-Base interactions energy: -327.166
where: short stacking energy: -155.313
Base-Backbone interact. energy: 2.796
local terms energy: -199.887595
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -33.903
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -36.192
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -233.668543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.668543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.668543 (E_RNA)
where:
Base-Base interactions energy: -72.238
where: short stacking energy: -68.292
Base-Backbone interact. energy: -0.270
local terms energy: -161.160391
where:
bonds (distance) C4'-P energy: -48.554
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -51.057
flat angles P-C4'-P energy: -14.288
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1003.867768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.867768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.867768 (E_RNA)
where:
Base-Base interactions energy: -702.817
where: short stacking energy: -295.364
Base-Backbone interact. energy: -1.078
local terms energy: -299.973079
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -63.030
flat angles P-C4'-P energy: -45.693
tors. eta vs tors. theta energy: -88.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -981.317975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.317975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.317975 (E_RNA)
where:
Base-Base interactions energy: -671.275
where: short stacking energy: -314.218
Base-Backbone interact. energy: -1.032
local terms energy: -309.011299
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -48.122
flat angles C4'-P-C4' energy: -58.637
flat angles P-C4'-P energy: -51.913
tors. eta vs tors. theta energy: -95.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -943.152527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.152527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.152527 (E_RNA)
where:
Base-Base interactions energy: -651.751
where: short stacking energy: -281.216
Base-Backbone interact. energy: 0.567
local terms energy: -291.968155
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -50.332
flat angles C4'-P-C4' energy: -66.367
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -84.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -918.319248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.319248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.319248 (E_RNA)
where:
Base-Base interactions energy: -636.295
where: short stacking energy: -267.197
Base-Backbone interact. energy: -2.190
local terms energy: -279.834759
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -65.866
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -78.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -827.006167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.006167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.006167 (E_RNA)
where:
Base-Base interactions energy: -561.474
where: short stacking energy: -245.061
Base-Backbone interact. energy: -0.587
local terms energy: -264.944721
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -49.277
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -41.648
tors. eta vs tors. theta energy: -68.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -760.292359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.292359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.292359 (E_RNA)
where:
Base-Base interactions energy: -521.820
where: short stacking energy: -227.455
Base-Backbone interact. energy: 1.920
local terms energy: -240.392526
where:
bonds (distance) C4'-P energy: -46.283
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -52.784
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -54.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -631.452512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.452512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.452512 (E_RNA)
where:
Base-Base interactions energy: -394.305
where: short stacking energy: -186.511
Base-Backbone interact. energy: 0.697
local terms energy: -237.845018
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -57.767
flat angles P-C4'-P energy: -28.645
tors. eta vs tors. theta energy: -36.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -494.199137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.199137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.199137 (E_RNA)
where:
Base-Base interactions energy: -308.381
where: short stacking energy: -137.551
Base-Backbone interact. energy: -0.738
local terms energy: -185.079685
where:
bonds (distance) C4'-P energy: -58.284
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -46.704
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -448.159558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.159558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.159558 (E_RNA)
where:
Base-Base interactions energy: -265.440
where: short stacking energy: -140.522
Base-Backbone interact. energy: 1.216
local terms energy: -183.935581
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -49.033
flat angles C4'-P-C4' energy: -42.247
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -237.888430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.888430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.888430 (E_RNA)
where:
Base-Base interactions energy: -101.783
where: short stacking energy: -94.951
Base-Backbone interact. energy: -1.420
local terms energy: -134.686010
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -41.297
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: 16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -997.300746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.300746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.300746 (E_RNA)
where:
Base-Base interactions energy: -698.651
where: short stacking energy: -293.581
Base-Backbone interact. energy: -1.400
local terms energy: -297.249684
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -52.684
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -43.350
tors. eta vs tors. theta energy: -85.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -978.932854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.932854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.932854 (E_RNA)
where:
Base-Base interactions energy: -661.685
where: short stacking energy: -304.087
Base-Backbone interact. energy: -0.719
local terms energy: -316.529200
where:
bonds (distance) C4'-P energy: -58.222
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -42.066
tors. eta vs tors. theta energy: -92.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -947.206418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.206418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.206418 (E_RNA)
where:
Base-Base interactions energy: -666.683
where: short stacking energy: -275.332
Base-Backbone interact. energy: -1.109
local terms energy: -279.413926
where:
bonds (distance) C4'-P energy: -51.512
bonds (distance) P-C4' energy: -55.164
flat angles C4'-P-C4' energy: -58.799
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -81.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -941.001977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.001977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.001977 (E_RNA)
where:
Base-Base interactions energy: -662.752
where: short stacking energy: -287.768
Base-Backbone interact. energy: 2.365
local terms energy: -280.615227
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -50.548
flat angles C4'-P-C4' energy: -59.565
flat angles P-C4'-P energy: -40.823
tors. eta vs tors. theta energy: -82.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -831.226074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.226074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.226074 (E_RNA)
where:
Base-Base interactions energy: -566.775
where: short stacking energy: -244.188
Base-Backbone interact. energy: -2.612
local terms energy: -261.838832
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -48.817
flat angles C4'-P-C4' energy: -51.571
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -70.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -785.359681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.359681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.359681 (E_RNA)
where:
Base-Base interactions energy: -508.286
where: short stacking energy: -236.163
Base-Backbone interact. energy: -2.648
local terms energy: -274.424959
where:
bonds (distance) C4'-P energy: -53.962
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -68.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -622.823150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.823150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.823150 (E_RNA)
where:
Base-Base interactions energy: -396.989
where: short stacking energy: -164.372
Base-Backbone interact. energy: -1.781
local terms energy: -224.053117
where:
bonds (distance) C4'-P energy: -39.657
bonds (distance) P-C4' energy: -58.354
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -40.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -522.776987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.776987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.776987 (E_RNA)
where:
Base-Base interactions energy: -316.654
where: short stacking energy: -146.083
Base-Backbone interact. energy: -0.309
local terms energy: -205.813786
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -48.764
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -30.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -443.812732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.812732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.812732 (E_RNA)
where:
Base-Base interactions energy: -247.662
where: short stacking energy: -112.116
Base-Backbone interact. energy: -1.035
local terms energy: -195.116001
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -53.095
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -244.939654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.939654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.939654 (E_RNA)
where:
Base-Base interactions energy: -79.948
where: short stacking energy: -73.242
Base-Backbone interact. energy: -2.638
local terms energy: -162.353457
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -39.350
flat angles C4'-P-C4' energy: -47.937
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: 4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -979.919889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.919889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.919889 (E_RNA)
where:
Base-Base interactions energy: -692.993
where: short stacking energy: -288.974
Base-Backbone interact. energy: -1.039
local terms energy: -285.887415
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -68.163
flat angles P-C4'-P energy: -41.432
tors. eta vs tors. theta energy: -87.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -958.182506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.182506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.182506 (E_RNA)
where:
Base-Base interactions energy: -669.269
where: short stacking energy: -278.218
Base-Backbone interact. energy: -0.975
local terms energy: -287.938434
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -64.976
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -80.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -960.242623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.242623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.242623 (E_RNA)
where:
Base-Base interactions energy: -648.958
where: short stacking energy: -297.373
Base-Backbone interact. energy: -0.137
local terms energy: -311.147564
where:
bonds (distance) C4'-P energy: -55.310
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -61.026
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: -97.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -923.923880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.923880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.923880 (E_RNA)
where:
Base-Base interactions energy: -632.901
where: short stacking energy: -280.429
Base-Backbone interact. energy: -0.311
local terms energy: -290.711514
where:
bonds (distance) C4'-P energy: -51.288
bonds (distance) P-C4' energy: -53.728
flat angles C4'-P-C4' energy: -64.632
flat angles P-C4'-P energy: -38.980
tors. eta vs tors. theta energy: -82.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -854.835488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.835488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.835488 (E_RNA)
where:
Base-Base interactions energy: -572.037
where: short stacking energy: -256.983
Base-Backbone interact. energy: -2.702
local terms energy: -280.097390
where:
bonds (distance) C4'-P energy: -44.804
bonds (distance) P-C4' energy: -45.607
flat angles C4'-P-C4' energy: -72.084
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -80.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -784.718982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.718982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.718982 (E_RNA)
where:
Base-Base interactions energy: -531.720
where: short stacking energy: -228.255
Base-Backbone interact. energy: -1.207
local terms energy: -251.791299
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -46.739
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -29.572
tors. eta vs tors. theta energy: -75.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -642.034020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.034020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.034020 (E_RNA)
where:
Base-Base interactions energy: -396.484
where: short stacking energy: -193.657
Base-Backbone interact. energy: -0.526
local terms energy: -245.024703
where:
bonds (distance) C4'-P energy: -61.764
bonds (distance) P-C4' energy: -44.775
flat angles C4'-P-C4' energy: -52.198
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -50.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -535.604845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.604845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.604845 (E_RNA)
where:
Base-Base interactions energy: -323.776
where: short stacking energy: -125.371
Base-Backbone interact. energy: -0.875
local terms energy: -210.953481
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -51.047
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -446.699285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.699285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.699285 (E_RNA)
where:
Base-Base interactions energy: -247.987
where: short stacking energy: -115.851
Base-Backbone interact. energy: -0.560
local terms energy: -198.151649
where:
bonds (distance) C4'-P energy: -43.384
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -32.319
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -263.641550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.641550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.641550 (E_RNA)
where:
Base-Base interactions energy: -94.471
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.797
local terms energy: -168.372775
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -53.299
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: 6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -988.280369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.280369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.280369 (E_RNA)
where:
Base-Base interactions energy: -680.800
where: short stacking energy: -287.130
Base-Backbone interact. energy: -0.909
local terms energy: -306.571162
where:
bonds (distance) C4'-P energy: -59.254
bonds (distance) P-C4' energy: -56.594
flat angles C4'-P-C4' energy: -65.091
flat angles P-C4'-P energy: -47.931
tors. eta vs tors. theta energy: -77.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -961.733013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.733013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.733013 (E_RNA)
where:
Base-Base interactions energy: -644.642
where: short stacking energy: -275.691
Base-Backbone interact. energy: -2.142
local terms energy: -314.948688
where:
bonds (distance) C4'-P energy: -63.616
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -61.362
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -84.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -965.709710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.709710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.709710 (E_RNA)
where:
Base-Base interactions energy: -668.298
where: short stacking energy: -288.285
Base-Backbone interact. energy: -0.502
local terms energy: -296.909271
where:
bonds (distance) C4'-P energy: -50.582
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -60.374
flat angles P-C4'-P energy: -38.012
tors. eta vs tors. theta energy: -91.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -925.380396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.380396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.380396 (E_RNA)
where:
Base-Base interactions energy: -635.325
where: short stacking energy: -280.193
Base-Backbone interact. energy: -0.684
local terms energy: -289.371303
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -33.685
tors. eta vs tors. theta energy: -88.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -845.794469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.794469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.794469 (E_RNA)
where:
Base-Base interactions energy: -575.939
where: short stacking energy: -253.039
Base-Backbone interact. energy: -0.946
local terms energy: -268.909440
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -58.514
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -74.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -777.124905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.124905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.124905 (E_RNA)
where:
Base-Base interactions energy: -517.239
where: short stacking energy: -224.556
Base-Backbone interact. energy: -0.970
local terms energy: -258.915475
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -56.788
flat angles C4'-P-C4' energy: -55.342
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -61.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -684.665916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.665916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.665916 (E_RNA)
where:
Base-Base interactions energy: -456.164
where: short stacking energy: -233.812
Base-Backbone interact. energy: -0.213
local terms energy: -228.288901
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -57.753
flat angles C4'-P-C4' energy: -55.185
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -56.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -531.665018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.665018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.665018 (E_RNA)
where:
Base-Base interactions energy: -320.116
where: short stacking energy: -166.322
Base-Backbone interact. energy: -0.849
local terms energy: -210.699979
where:
bonds (distance) C4'-P energy: -43.745
bonds (distance) P-C4' energy: -58.042
flat angles C4'-P-C4' energy: -46.048
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -30.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -457.370431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.370431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.370431 (E_RNA)
where:
Base-Base interactions energy: -270.300
where: short stacking energy: -139.266
Base-Backbone interact. energy: -0.192
local terms energy: -186.879120
where:
bonds (distance) C4'-P energy: -49.192
bonds (distance) P-C4' energy: -42.384
flat angles C4'-P-C4' energy: -47.497
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -235.992865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.992865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.992865 (E_RNA)
where:
Base-Base interactions energy: -78.849
where: short stacking energy: -73.894
Base-Backbone interact. energy: 2.781
local terms energy: -159.924908
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: 3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -993.218686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.218686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.218686 (E_RNA)
where:
Base-Base interactions energy: -692.526
where: short stacking energy: -290.943
Base-Backbone interact. energy: -1.023
local terms energy: -299.669831
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -59.295
flat angles C4'-P-C4' energy: -57.464
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -90.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -983.860380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.860380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.860380 (E_RNA)
where:
Base-Base interactions energy: -666.254
where: short stacking energy: -291.575
Base-Backbone interact. energy: -0.731
local terms energy: -316.876138
where:
bonds (distance) C4'-P energy: -53.513
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -66.743
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -90.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -923.284441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.284441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.284441 (E_RNA)
where:
Base-Base interactions energy: -625.043
where: short stacking energy: -264.871
Base-Backbone interact. energy: -1.340
local terms energy: -296.901705
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -62.637
flat angles P-C4'-P energy: -45.632
tors. eta vs tors. theta energy: -84.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -865.687892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.687892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.687892 (E_RNA)
where:
Base-Base interactions energy: -596.071
where: short stacking energy: -249.900
Base-Backbone interact. energy: -0.878
local terms energy: -268.738602
where:
bonds (distance) C4'-P energy: -54.126
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -77.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -910.223450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.223450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.223450 (E_RNA)
where:
Base-Base interactions energy: -618.228
where: short stacking energy: -287.534
Base-Backbone interact. energy: -1.869
local terms energy: -290.126762
where:
bonds (distance) C4'-P energy: -55.826
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -89.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -763.851924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.851924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.851924 (E_RNA)
where:
Base-Base interactions energy: -498.575
where: short stacking energy: -228.199
Base-Backbone interact. energy: 0.082
local terms energy: -265.358615
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -51.660
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -65.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -619.795309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.795309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.795309 (E_RNA)
where:
Base-Base interactions energy: -390.247
where: short stacking energy: -182.604
Base-Backbone interact. energy: 2.138
local terms energy: -231.686326
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -46.414
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -35.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -566.738777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.738777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.738777 (E_RNA)
where:
Base-Base interactions energy: -350.512
where: short stacking energy: -169.323
Base-Backbone interact. energy: -0.608
local terms energy: -215.618786
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -52.985
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -46.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -443.025911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.025911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.025911 (E_RNA)
where:
Base-Base interactions energy: -265.632
where: short stacking energy: -137.677
Base-Backbone interact. energy: -1.243
local terms energy: -176.150762
where:
bonds (distance) C4'-P energy: -32.598
bonds (distance) P-C4' energy: -48.599
flat angles C4'-P-C4' energy: -43.463
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -255.987464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.987464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.987464 (E_RNA)
where:
Base-Base interactions energy: -94.977
where: short stacking energy: -78.605
Base-Backbone interact. energy: 1.427
local terms energy: -162.437458
where:
bonds (distance) C4'-P energy: -51.896
bonds (distance) P-C4' energy: -39.747
flat angles C4'-P-C4' energy: -51.920
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: 1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -997.320441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.320441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.320441 (E_RNA)
where:
Base-Base interactions energy: -684.101
where: short stacking energy: -297.831
Base-Backbone interact. energy: -1.582
local terms energy: -311.638200
where:
bonds (distance) C4'-P energy: -56.085
bonds (distance) P-C4' energy: -59.984
flat angles C4'-P-C4' energy: -66.364
flat angles P-C4'-P energy: -42.520
tors. eta vs tors. theta energy: -86.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -988.003662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.003662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.003662 (E_RNA)
where:
Base-Base interactions energy: -684.321
where: short stacking energy: -306.590
Base-Backbone interact. energy: -0.920
local terms energy: -302.762585
where:
bonds (distance) C4'-P energy: -47.567
bonds (distance) P-C4' energy: -60.864
flat angles C4'-P-C4' energy: -68.946
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -91.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -920.422187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.422187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.422187 (E_RNA)
where:
Base-Base interactions energy: -621.303
where: short stacking energy: -275.186
Base-Backbone interact. energy: -0.363
local terms energy: -298.755889
where:
bonds (distance) C4'-P energy: -52.177
bonds (distance) P-C4' energy: -60.244
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -42.959
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -852.609965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.609965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.609965 (E_RNA)
where:
Base-Base interactions energy: -557.645
where: short stacking energy: -246.742
Base-Backbone interact. energy: -0.942
local terms energy: -294.022690
where:
bonds (distance) C4'-P energy: -57.583
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -62.301
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -75.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -889.245619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.245619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.245619 (E_RNA)
where:
Base-Base interactions energy: -605.303
where: short stacking energy: -274.383
Base-Backbone interact. energy: -0.854
local terms energy: -283.088824
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -52.415
flat angles C4'-P-C4' energy: -60.446
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -92.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -755.888652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.888652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.888652 (E_RNA)
where:
Base-Base interactions energy: -506.690
where: short stacking energy: -234.913
Base-Backbone interact. energy: -1.550
local terms energy: -247.649159
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -52.084
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -65.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -611.308484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.308484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.308484 (E_RNA)
where:
Base-Base interactions energy: -388.976
where: short stacking energy: -179.318
Base-Backbone interact. energy: 1.080
local terms energy: -223.412566
where:
bonds (distance) C4'-P energy: -53.911
bonds (distance) P-C4' energy: -56.464
flat angles C4'-P-C4' energy: -52.355
flat angles P-C4'-P energy: -25.974
tors. eta vs tors. theta energy: -34.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -585.635964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.635964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.635964 (E_RNA)
where:
Base-Base interactions energy: -384.230
where: short stacking energy: -172.870
Base-Backbone interact. energy: 0.558
local terms energy: -201.964289
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -46.856
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -42.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -423.442498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.442498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.442498 (E_RNA)
where:
Base-Base interactions energy: -252.123
where: short stacking energy: -140.103
Base-Backbone interact. energy: -0.783
local terms energy: -170.536869
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -33.501
flat angles C4'-P-C4' energy: -50.409
flat angles P-C4'-P energy: -19.307
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -256.428780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.428780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.428780 (E_RNA)
where:
Base-Base interactions energy: -84.247
where: short stacking energy: -77.647
Base-Backbone interact. energy: -1.262
local terms energy: -170.919083
where:
bonds (distance) C4'-P energy: -42.284
bonds (distance) P-C4' energy: -40.721
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -43.101
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -996.437777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.437777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.437777 (E_RNA)
where:
Base-Base interactions energy: -674.380
where: short stacking energy: -288.522
Base-Backbone interact. energy: -2.492
local terms energy: -319.565526
where:
bonds (distance) C4'-P energy: -50.434
bonds (distance) P-C4' energy: -60.847
flat angles C4'-P-C4' energy: -65.286
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -90.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -950.444040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.444040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.444040 (E_RNA)
where:
Base-Base interactions energy: -676.252
where: short stacking energy: -274.983
Base-Backbone interact. energy: 0.304
local terms energy: -274.496338
where:
bonds (distance) C4'-P energy: -46.361
bonds (distance) P-C4' energy: -56.444
flat angles C4'-P-C4' energy: -56.793
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -76.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -953.511834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.511834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.511834 (E_RNA)
where:
Base-Base interactions energy: -653.307
where: short stacking energy: -273.734
Base-Backbone interact. energy: -2.301
local terms energy: -297.903836
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -47.077
tors. eta vs tors. theta energy: -86.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -893.704649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.704649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.704649 (E_RNA)
where:
Base-Base interactions energy: -602.006
where: short stacking energy: -264.835
Base-Backbone interact. energy: -0.715
local terms energy: -290.983613
where:
bonds (distance) C4'-P energy: -53.728
bonds (distance) P-C4' energy: -55.690
flat angles C4'-P-C4' energy: -51.636
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -90.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -801.921142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.921142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.921142 (E_RNA)
where:
Base-Base interactions energy: -528.803
where: short stacking energy: -247.165
Base-Backbone interact. energy: -1.545
local terms energy: -271.573513
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -60.953
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -71.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -731.980482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.980482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.980482 (E_RNA)
where:
Base-Base interactions energy: -482.145
where: short stacking energy: -215.814
Base-Backbone interact. energy: -1.062
local terms energy: -248.773974
where:
bonds (distance) C4'-P energy: -50.880
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -43.606
tors. eta vs tors. theta energy: -61.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -601.911199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.911199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.911199 (E_RNA)
where:
Base-Base interactions energy: -403.329
where: short stacking energy: -173.029
Base-Backbone interact. energy: 0.051
local terms energy: -198.632646
where:
bonds (distance) C4'-P energy: -37.896
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -36.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -611.666612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.666612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.666612 (E_RNA)
where:
Base-Base interactions energy: -400.799
where: short stacking energy: -187.987
Base-Backbone interact. energy: -0.436
local terms energy: -210.432192
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -60.030
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -43.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -452.174738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.174738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.174738 (E_RNA)
where:
Base-Base interactions energy: -249.201
where: short stacking energy: -130.151
Base-Backbone interact. energy: 0.684
local terms energy: -203.658496
where:
bonds (distance) C4'-P energy: -44.927
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -236.790125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.790125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.790125 (E_RNA)
where:
Base-Base interactions energy: -82.926
where: short stacking energy: -67.214
Base-Backbone interact. energy: 1.350
local terms energy: -155.214143
where:
bonds (distance) C4'-P energy: -56.004
bonds (distance) P-C4' energy: -46.584
flat angles C4'-P-C4' energy: -37.180
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: 6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -971.015083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.015083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.015083 (E_RNA)
where:
Base-Base interactions energy: -680.626
where: short stacking energy: -285.289
Base-Backbone interact. energy: -2.815
local terms energy: -287.573994
where:
bonds (distance) C4'-P energy: -55.504
bonds (distance) P-C4' energy: -52.705
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: -79.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -985.999084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.999084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.999084 (E_RNA)
where:
Base-Base interactions energy: -686.142
where: short stacking energy: -289.778
Base-Backbone interact. energy: -0.570
local terms energy: -299.287014
where:
bonds (distance) C4'-P energy: -55.993
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -59.190
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -91.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -945.574222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.574222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.574222 (E_RNA)
where:
Base-Base interactions energy: -654.432
where: short stacking energy: -286.839
Base-Backbone interact. energy: -1.540
local terms energy: -289.601744
where:
bonds (distance) C4'-P energy: -56.317
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -44.289
tors. eta vs tors. theta energy: -80.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -885.604859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.604859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.604859 (E_RNA)
where:
Base-Base interactions energy: -598.035
where: short stacking energy: -260.058
Base-Backbone interact. energy: -1.332
local terms energy: -286.237764
where:
bonds (distance) C4'-P energy: -48.524
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -60.969
flat angles P-C4'-P energy: -39.782
tors. eta vs tors. theta energy: -82.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -838.067927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.067927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.067927 (E_RNA)
where:
Base-Base interactions energy: -577.340
where: short stacking energy: -238.131
Base-Backbone interact. energy: -1.189
local terms energy: -259.539354
where:
bonds (distance) C4'-P energy: -54.214
bonds (distance) P-C4' energy: -50.418
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -63.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -738.080651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.080651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.080651 (E_RNA)
where:
Base-Base interactions energy: -510.642
where: short stacking energy: -221.986
Base-Backbone interact. energy: 0.616
local terms energy: -228.054509
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -39.086
flat angles C4'-P-C4' energy: -51.797
flat angles P-C4'-P energy: -30.686
tors. eta vs tors. theta energy: -59.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -673.347589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.347589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.347589 (E_RNA)
where:
Base-Base interactions energy: -449.426
where: short stacking energy: -203.316
Base-Backbone interact. energy: -0.031
local terms energy: -223.890433
where:
bonds (distance) C4'-P energy: -40.165
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -49.380
flat angles P-C4'-P energy: -32.119
tors. eta vs tors. theta energy: -52.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -516.017653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.017653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.017653 (E_RNA)
where:
Base-Base interactions energy: -316.517
where: short stacking energy: -137.493
Base-Backbone interact. energy: -1.276
local terms energy: -198.224643
where:
bonds (distance) C4'-P energy: -49.740
bonds (distance) P-C4' energy: -46.715
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -35.214
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -441.919015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.919015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.919015 (E_RNA)
where:
Base-Base interactions energy: -277.353
where: short stacking energy: -148.722
Base-Backbone interact. energy: -0.563
local terms energy: -164.003377
where:
bonds (distance) C4'-P energy: -42.351
bonds (distance) P-C4' energy: -40.533
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -25.824
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -245.138634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.138634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.138634 (E_RNA)
where:
Base-Base interactions energy: -93.933
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.275
local terms energy: -150.930675
where:
bonds (distance) C4'-P energy: -40.699
bonds (distance) P-C4' energy: -48.077
flat angles C4'-P-C4' energy: -38.702
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -990.595488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.595488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.595488 (E_RNA)
where:
Base-Base interactions energy: -686.621
where: short stacking energy: -284.275
Base-Backbone interact. energy: -0.758
local terms energy: -303.216050
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -55.874
flat angles C4'-P-C4' energy: -63.118
flat angles P-C4'-P energy: -47.565
tors. eta vs tors. theta energy: -80.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -988.351456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.351456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.351456 (E_RNA)
where:
Base-Base interactions energy: -677.624
where: short stacking energy: -290.759
Base-Backbone interact. energy: -1.027
local terms energy: -309.700481
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -55.822
flat angles C4'-P-C4' energy: -63.492
flat angles P-C4'-P energy: -46.835
tors. eta vs tors. theta energy: -86.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -950.950231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.950231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.950231 (E_RNA)
where:
Base-Base interactions energy: -652.411
where: short stacking energy: -284.957
Base-Backbone interact. energy: -0.758
local terms energy: -297.780842
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -54.897
flat angles C4'-P-C4' energy: -65.306
flat angles P-C4'-P energy: -34.206
tors. eta vs tors. theta energy: -82.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -890.382732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.382732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.382732 (E_RNA)
where:
Base-Base interactions energy: -615.702
where: short stacking energy: -266.535
Base-Backbone interact. energy: -0.201
local terms energy: -274.479367
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -54.739
flat angles C4'-P-C4' energy: -51.539
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -84.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -838.923182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.923182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.923182 (E_RNA)
where:
Base-Base interactions energy: -561.817
where: short stacking energy: -222.864
Base-Backbone interact. energy: -1.777
local terms energy: -275.329069
where:
bonds (distance) C4'-P energy: -53.886
bonds (distance) P-C4' energy: -50.240
flat angles C4'-P-C4' energy: -64.580
flat angles P-C4'-P energy: -38.870
tors. eta vs tors. theta energy: -67.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -763.981949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.981949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.981949 (E_RNA)
where:
Base-Base interactions energy: -536.398
where: short stacking energy: -224.589
Base-Backbone interact. energy: 0.282
local terms energy: -227.866083
where:
bonds (distance) C4'-P energy: -33.416
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -27.953
tors. eta vs tors. theta energy: -58.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -761.837322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.837322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.837322 (E_RNA)
where:
Base-Base interactions energy: -500.183
where: short stacking energy: -220.493
Base-Backbone interact. energy: -1.365
local terms energy: -260.289521
where:
bonds (distance) C4'-P energy: -48.952
bonds (distance) P-C4' energy: -55.932
flat angles C4'-P-C4' energy: -57.712
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -59.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -571.465412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.465412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.465412 (E_RNA)
where:
Base-Base interactions energy: -343.659
where: short stacking energy: -156.899
Base-Backbone interact. energy: -1.317
local terms energy: -226.489433
where:
bonds (distance) C4'-P energy: -44.475
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -46.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -372.273305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.273305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.273305 (E_RNA)
where:
Base-Base interactions energy: -188.138
where: short stacking energy: -102.760
Base-Backbone interact. energy: -1.016
local terms energy: -183.119096
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -45.886
flat angles C4'-P-C4' energy: -47.219
flat angles P-C4'-P energy: -30.282
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -250.945955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.945955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.945955 (E_RNA)
where:
Base-Base interactions energy: -91.820
where: short stacking energy: -86.888
Base-Backbone interact. energy: -0.810
local terms energy: -158.316300
where:
bonds (distance) C4'-P energy: -46.738
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -983.933996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.933996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.933996 (E_RNA)
where:
Base-Base interactions energy: -686.891
where: short stacking energy: -281.282
Base-Backbone interact. energy: -1.198
local terms energy: -295.845411
where:
bonds (distance) C4'-P energy: -59.201
bonds (distance) P-C4' energy: -58.938
flat angles C4'-P-C4' energy: -57.928
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -82.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -969.298076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.298076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.298076 (E_RNA)
where:
Base-Base interactions energy: -664.699
where: short stacking energy: -285.067
Base-Backbone interact. energy: 0.118
local terms energy: -304.717767
where:
bonds (distance) C4'-P energy: -54.495
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -63.817
flat angles P-C4'-P energy: -45.537
tors. eta vs tors. theta energy: -89.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -941.401012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.401012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.401012 (E_RNA)
where:
Base-Base interactions energy: -652.355
where: short stacking energy: -292.100
Base-Backbone interact. energy: -0.282
local terms energy: -288.764306
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -58.352
flat angles C4'-P-C4' energy: -56.707
flat angles P-C4'-P energy: -44.747
tors. eta vs tors. theta energy: -89.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -909.513169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.513169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.513169 (E_RNA)
where:
Base-Base interactions energy: -608.542
where: short stacking energy: -270.526
Base-Backbone interact. energy: -0.420
local terms energy: -300.550619
where:
bonds (distance) C4'-P energy: -58.687
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -48.907
tors. eta vs tors. theta energy: -83.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -804.012762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.012762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.012762 (E_RNA)
where:
Base-Base interactions energy: -548.700
where: short stacking energy: -228.904
Base-Backbone interact. energy: -1.637
local terms energy: -253.676368
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -35.474
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -34.515
tors. eta vs tors. theta energy: -69.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -769.252402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.252402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.252402 (E_RNA)
where:
Base-Base interactions energy: -530.674
where: short stacking energy: -240.330
Base-Backbone interact. energy: -0.731
local terms energy: -237.848074
where:
bonds (distance) C4'-P energy: -47.356
bonds (distance) P-C4' energy: -42.941
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -28.850
tors. eta vs tors. theta energy: -61.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -759.968622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.968622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.968622 (E_RNA)
where:
Base-Base interactions energy: -512.740
where: short stacking energy: -225.471
Base-Backbone interact. energy: -0.447
local terms energy: -246.781513
where:
bonds (distance) C4'-P energy: -50.343
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -51.873
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -69.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -526.002075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.002075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.002075 (E_RNA)
where:
Base-Base interactions energy: -325.377
where: short stacking energy: -149.354
Base-Backbone interact. energy: -1.988
local terms energy: -198.637235
where:
bonds (distance) C4'-P energy: -50.795
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -37.618
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -381.721411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.721411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.721411 (E_RNA)
where:
Base-Base interactions energy: -197.380
where: short stacking energy: -94.473
Base-Backbone interact. energy: -1.470
local terms energy: -182.871897
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -56.943
flat angles C4'-P-C4' energy: -41.881
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -276.570560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.570560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.570560 (E_RNA)
where:
Base-Base interactions energy: -120.229
where: short stacking energy: -86.480
Base-Backbone interact. energy: 3.537
local terms energy: -159.878152
where:
bonds (distance) C4'-P energy: -41.956
bonds (distance) P-C4' energy: -44.731
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: 1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -992.754993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.754993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.754993 (E_RNA)
where:
Base-Base interactions energy: -695.793
where: short stacking energy: -277.576
Base-Backbone interact. energy: -0.748
local terms energy: -296.213854
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -80.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -987.502732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.502732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.502732 (E_RNA)
where:
Base-Base interactions energy: -683.394
where: short stacking energy: -301.326
Base-Backbone interact. energy: -0.805
local terms energy: -303.304039
where:
bonds (distance) C4'-P energy: -51.417
bonds (distance) P-C4' energy: -60.102
flat angles C4'-P-C4' energy: -61.495
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -86.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -961.373986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.373986 (E_RNA)
where:
Base-Base interactions energy: -656.984
where: short stacking energy: -302.217
Base-Backbone interact. energy: -0.179
local terms energy: -304.211275
where:
bonds (distance) C4'-P energy: -59.464
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -90.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -891.186461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.186461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.186461 (E_RNA)
where:
Base-Base interactions energy: -601.651
where: short stacking energy: -267.230
Base-Backbone interact. energy: -0.626
local terms energy: -288.909828
where:
bonds (distance) C4'-P energy: -53.322
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -56.781
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -88.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -828.381070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.381070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.381070 (E_RNA)
where:
Base-Base interactions energy: -557.642
where: short stacking energy: -244.542
Base-Backbone interact. energy: -2.313
local terms energy: -268.426053
where:
bonds (distance) C4'-P energy: -53.602
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -54.210
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -70.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -798.048686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.048686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.048686 (E_RNA)
where:
Base-Base interactions energy: -546.043
where: short stacking energy: -224.487
Base-Backbone interact. energy: -2.690
local terms energy: -249.315253
where:
bonds (distance) C4'-P energy: -47.633
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -60.527
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -65.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -743.649178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.649178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.649178 (E_RNA)
where:
Base-Base interactions energy: -489.711
where: short stacking energy: -217.911
Base-Backbone interact. energy: -0.422
local terms energy: -253.516073
where:
bonds (distance) C4'-P energy: -50.929
bonds (distance) P-C4' energy: -45.571
flat angles C4'-P-C4' energy: -51.235
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -541.005746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.005746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.005746 (E_RNA)
where:
Base-Base interactions energy: -340.410
where: short stacking energy: -151.137
Base-Backbone interact. energy: -2.256
local terms energy: -198.339704
where:
bonds (distance) C4'-P energy: -43.300
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -53.782
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -375.896426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.896426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.896426 (E_RNA)
where:
Base-Base interactions energy: -207.907
where: short stacking energy: -117.646
Base-Backbone interact. energy: -1.536
local terms energy: -166.453377
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -253.254551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.254551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.254551 (E_RNA)
where:
Base-Base interactions energy: -84.623
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.700
local terms energy: -167.932109
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1008.020632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.020632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.020632 (E_RNA)
where:
Base-Base interactions energy: -688.603
where: short stacking energy: -278.525
Base-Backbone interact. energy: -1.496
local terms energy: -317.921866
where:
bonds (distance) C4'-P energy: -62.109
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -67.078
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -84.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -968.870238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.870238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.870238 (E_RNA)
where:
Base-Base interactions energy: -660.761
where: short stacking energy: -292.146
Base-Backbone interact. energy: -0.379
local terms energy: -307.729987
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -53.789
flat angles C4'-P-C4' energy: -60.974
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -90.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -942.958551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.958551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.958551 (E_RNA)
where:
Base-Base interactions energy: -649.009
where: short stacking energy: -278.344
Base-Backbone interact. energy: 0.087
local terms energy: -294.035882
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -53.744
flat angles C4'-P-C4' energy: -59.481
flat angles P-C4'-P energy: -41.936
tors. eta vs tors. theta energy: -83.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -917.393461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.393461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.393461 (E_RNA)
where:
Base-Base interactions energy: -625.191
where: short stacking energy: -277.407
Base-Backbone interact. energy: -0.141
local terms energy: -292.061195
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -58.539
flat angles C4'-P-C4' energy: -60.057
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -81.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -833.483582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.483582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.483582 (E_RNA)
where:
Base-Base interactions energy: -559.295
where: short stacking energy: -231.088
Base-Backbone interact. energy: 2.829
local terms energy: -277.017152
where:
bonds (distance) C4'-P energy: -61.725
bonds (distance) P-C4' energy: -43.836
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -37.273
tors. eta vs tors. theta energy: -75.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -794.699483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.699483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.699483 (E_RNA)
where:
Base-Base interactions energy: -531.182
where: short stacking energy: -218.672
Base-Backbone interact. energy: -0.307
local terms energy: -263.209882
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -51.269
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -35.392
tors. eta vs tors. theta energy: -66.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -738.391441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.391441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.391441 (E_RNA)
where:
Base-Base interactions energy: -485.808
where: short stacking energy: -221.219
Base-Backbone interact. energy: -1.536
local terms energy: -251.047530
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -48.117
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -67.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -544.577297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.577297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.577297 (E_RNA)
where:
Base-Base interactions energy: -329.555
where: short stacking energy: -159.824
Base-Backbone interact. energy: 0.783
local terms energy: -215.805483
where:
bonds (distance) C4'-P energy: -46.966
bonds (distance) P-C4' energy: -51.022
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -29.787
tors. eta vs tors. theta energy: -41.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -369.305605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.305605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.305605 (E_RNA)
where:
Base-Base interactions energy: -206.351
where: short stacking energy: -107.708
Base-Backbone interact. energy: 0.207
local terms energy: -163.161984
where:
bonds (distance) C4'-P energy: -37.421
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -52.518
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -240.625848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.625848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.625848 (E_RNA)
where:
Base-Base interactions energy: -87.285
where: short stacking energy: -86.216
Base-Backbone interact. energy: 2.787
local terms energy: -156.127670
where:
bonds (distance) C4'-P energy: -41.145
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -43.557
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: 1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -988.224054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.224054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.224054 (E_RNA)
where:
Base-Base interactions energy: -689.378
where: short stacking energy: -275.239
Base-Backbone interact. energy: -1.233
local terms energy: -297.612986
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -63.342
flat angles P-C4'-P energy: -43.612
tors. eta vs tors. theta energy: -81.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -962.133583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.133583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.133583 (E_RNA)
where:
Base-Base interactions energy: -662.557
where: short stacking energy: -287.135
Base-Backbone interact. energy: -0.545
local terms energy: -299.031371
where:
bonds (distance) C4'-P energy: -47.307
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -63.432
flat angles P-C4'-P energy: -43.043
tors. eta vs tors. theta energy: -90.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -951.090907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.090907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.090907 (E_RNA)
where:
Base-Base interactions energy: -657.565
where: short stacking energy: -279.973
Base-Backbone interact. energy: -0.515
local terms energy: -293.011219
where:
bonds (distance) C4'-P energy: -55.202
bonds (distance) P-C4' energy: -55.406
flat angles C4'-P-C4' energy: -64.292
flat angles P-C4'-P energy: -32.084
tors. eta vs tors. theta energy: -86.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -904.611568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.611568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.611568 (E_RNA)
where:
Base-Base interactions energy: -606.164
where: short stacking energy: -267.169
Base-Backbone interact. energy: -1.169
local terms energy: -297.278887
where:
bonds (distance) C4'-P energy: -50.411
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -59.173
flat angles P-C4'-P energy: -43.176
tors. eta vs tors. theta energy: -90.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -822.908936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.908936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.908936 (E_RNA)
where:
Base-Base interactions energy: -574.811
where: short stacking energy: -220.166
Base-Backbone interact. energy: -2.187
local terms energy: -245.910581
where:
bonds (distance) C4'-P energy: -55.719
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -45.562
flat angles P-C4'-P energy: -32.568
tors. eta vs tors. theta energy: -62.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -771.753219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.753219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.753219 (E_RNA)
where:
Base-Base interactions energy: -517.999
where: short stacking energy: -226.293
Base-Backbone interact. energy: -0.239
local terms energy: -253.515629
where:
bonds (distance) C4'-P energy: -58.442
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -47.307
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -61.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -763.278764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.278764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.278764 (E_RNA)
where:
Base-Base interactions energy: -505.313
where: short stacking energy: -228.310
Base-Backbone interact. energy: -0.518
local terms energy: -257.447921
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -58.803
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -66.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -542.767876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.767876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.767876 (E_RNA)
where:
Base-Base interactions energy: -328.545
where: short stacking energy: -168.278
Base-Backbone interact. energy: -0.546
local terms energy: -213.677293
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -54.761
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -40.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -358.673170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.673170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.673170 (E_RNA)
where:
Base-Base interactions energy: -195.995
where: short stacking energy: -126.945
Base-Backbone interact. energy: 0.568
local terms energy: -163.245715
where:
bonds (distance) C4'-P energy: -42.112
bonds (distance) P-C4' energy: -50.540
flat angles C4'-P-C4' energy: -45.799
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -241.300786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.300786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.300786 (E_RNA)
where:
Base-Base interactions energy: -90.254
where: short stacking energy: -78.495
Base-Backbone interact. energy: 0.914
local terms energy: -151.960785
where:
bonds (distance) C4'-P energy: -32.324
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -43.889
flat angles P-C4'-P energy: -32.055
tors. eta vs tors. theta energy: 5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -991.613853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.613853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.613853 (E_RNA)
where:
Base-Base interactions energy: -702.096
where: short stacking energy: -284.951
Base-Backbone interact. energy: -0.009
local terms energy: -289.509197
where:
bonds (distance) C4'-P energy: -53.538
bonds (distance) P-C4' energy: -59.483
flat angles C4'-P-C4' energy: -55.197
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -81.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -973.698403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.698403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.698403 (E_RNA)
where:
Base-Base interactions energy: -670.451
where: short stacking energy: -286.805
Base-Backbone interact. energy: -0.403
local terms energy: -302.844168
where:
bonds (distance) C4'-P energy: -60.275
bonds (distance) P-C4' energy: -55.618
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -91.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -927.680563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.680563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.680563 (E_RNA)
where:
Base-Base interactions energy: -653.454
where: short stacking energy: -282.286
Base-Backbone interact. energy: -1.757
local terms energy: -272.469799
where:
bonds (distance) C4'-P energy: -45.135
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -78.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -897.272694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.272694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.272694 (E_RNA)
where:
Base-Base interactions energy: -588.173
where: short stacking energy: -256.761
Base-Backbone interact. energy: -0.998
local terms energy: -308.101783
where:
bonds (distance) C4'-P energy: -61.095
bonds (distance) P-C4' energy: -55.620
flat angles C4'-P-C4' energy: -64.173
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -84.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -815.076485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.076485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.076485 (E_RNA)
where:
Base-Base interactions energy: -550.125
where: short stacking energy: -252.674
Base-Backbone interact. energy: 1.232
local terms energy: -266.183390
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -61.323
flat angles P-C4'-P energy: -39.886
tors. eta vs tors. theta energy: -71.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -772.244919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.244919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.244919 (E_RNA)
where:
Base-Base interactions energy: -525.650
where: short stacking energy: -208.294
Base-Backbone interact. energy: 2.085
local terms energy: -248.680292
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -43.019
flat angles C4'-P-C4' energy: -61.462
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -59.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -729.073205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.073205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.073205 (E_RNA)
where:
Base-Base interactions energy: -480.688
where: short stacking energy: -223.914
Base-Backbone interact. energy: -0.187
local terms energy: -248.198142
where:
bonds (distance) C4'-P energy: -48.413
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -59.082
flat angles P-C4'-P energy: -29.980
tors. eta vs tors. theta energy: -64.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -542.295575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.295575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.295575 (E_RNA)
where:
Base-Base interactions energy: -339.513
where: short stacking energy: -165.226
Base-Backbone interact. energy: 0.718
local terms energy: -203.500787
where:
bonds (distance) C4'-P energy: -35.595
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -46.466
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -37.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -351.465349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.465349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.465349 (E_RNA)
where:
Base-Base interactions energy: -199.216
where: short stacking energy: -109.669
Base-Backbone interact. energy: 1.412
local terms energy: -153.661279
where:
bonds (distance) C4'-P energy: -51.353
bonds (distance) P-C4' energy: -44.903
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -232.271161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.271161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.271161 (E_RNA)
where:
Base-Base interactions energy: -74.005
where: short stacking energy: -62.398
Base-Backbone interact. energy: 1.860
local terms energy: -160.125952
where:
bonds (distance) C4'-P energy: -42.188
bonds (distance) P-C4' energy: -46.962
flat angles C4'-P-C4' energy: -40.313
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -990.879372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.879372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.879372 (E_RNA)
where:
Base-Base interactions energy: -710.816
where: short stacking energy: -296.035
Base-Backbone interact. energy: -2.346
local terms energy: -277.717575
where:
bonds (distance) C4'-P energy: -56.213
bonds (distance) P-C4' energy: -52.829
flat angles C4'-P-C4' energy: -55.768
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -78.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -966.573936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.573936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.573936 (E_RNA)
where:
Base-Base interactions energy: -660.094
where: short stacking energy: -297.948
Base-Backbone interact. energy: -1.295
local terms energy: -305.184837
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -59.227
flat angles C4'-P-C4' energy: -60.668
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -91.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -956.821306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.821306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.821306 (E_RNA)
where:
Base-Base interactions energy: -661.142
where: short stacking energy: -280.565
Base-Backbone interact. energy: 0.780
local terms energy: -296.459459
where:
bonds (distance) C4'-P energy: -56.829
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -62.113
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -80.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -919.167871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.167871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.167871 (E_RNA)
where:
Base-Base interactions energy: -629.142
where: short stacking energy: -273.109
Base-Backbone interact. energy: -0.973
local terms energy: -289.052700
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -82.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -834.146175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.146175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.146175 (E_RNA)
where:
Base-Base interactions energy: -567.187
where: short stacking energy: -242.896
Base-Backbone interact. energy: 2.377
local terms energy: -269.336092
where:
bonds (distance) C4'-P energy: -51.194
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -57.761
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -71.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -808.758033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.758033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.758033 (E_RNA)
where:
Base-Base interactions energy: -545.813
where: short stacking energy: -243.149
Base-Backbone interact. energy: -1.681
local terms energy: -261.263592
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -60.322
flat angles P-C4'-P energy: -30.458
tors. eta vs tors. theta energy: -73.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -679.314439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.314439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.314439 (E_RNA)
where:
Base-Base interactions energy: -428.683
where: short stacking energy: -183.579
Base-Backbone interact. energy: -1.190
local terms energy: -249.441634
where:
bonds (distance) C4'-P energy: -55.036
bonds (distance) P-C4' energy: -52.345
flat angles C4'-P-C4' energy: -55.090
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: -47.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -553.513409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.513409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.513409 (E_RNA)
where:
Base-Base interactions energy: -349.750
where: short stacking energy: -169.078
Base-Backbone interact. energy: 1.761
local terms energy: -205.524974
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -59.027
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -36.958
tors. eta vs tors. theta energy: -32.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -439.222371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.222371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.222371 (E_RNA)
where:
Base-Base interactions energy: -251.297
where: short stacking energy: -122.415
Base-Backbone interact. energy: -1.658
local terms energy: -186.267113
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -51.909
flat angles P-C4'-P energy: -30.091
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -236.963717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.963717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.963717 (E_RNA)
where:
Base-Base interactions energy: -90.908
where: short stacking energy: -65.362
Base-Backbone interact. energy: 1.604
local terms energy: -147.659685
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: 14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -978.264804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.264804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.264804 (E_RNA)
where:
Base-Base interactions energy: -690.458
where: short stacking energy: -279.168
Base-Backbone interact. energy: 0.685
local terms energy: -288.491946
where:
bonds (distance) C4'-P energy: -56.107
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -43.448
tors. eta vs tors. theta energy: -82.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -963.376354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.376354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.376354 (E_RNA)
where:
Base-Base interactions energy: -657.970
where: short stacking energy: -303.684
Base-Backbone interact. energy: -1.342
local terms energy: -304.064123
where:
bonds (distance) C4'-P energy: -58.103
bonds (distance) P-C4' energy: -55.117
flat angles C4'-P-C4' energy: -60.646
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -84.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -918.258296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.258296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.258296 (E_RNA)
where:
Base-Base interactions energy: -611.729
where: short stacking energy: -268.261
Base-Backbone interact. energy: -0.434
local terms energy: -306.094788
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -62.638
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -87.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -904.118071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.118071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.118071 (E_RNA)
where:
Base-Base interactions energy: -619.784
where: short stacking energy: -280.995
Base-Backbone interact. energy: -1.265
local terms energy: -283.068295
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -62.333
flat angles C4'-P-C4' energy: -58.727
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -79.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -824.582786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.582786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.582786 (E_RNA)
where:
Base-Base interactions energy: -559.846
where: short stacking energy: -247.361
Base-Backbone interact. energy: 0.386
local terms energy: -265.122036
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -56.976
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -75.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -799.899402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.899402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.899402 (E_RNA)
where:
Base-Base interactions energy: -547.226
where: short stacking energy: -247.378
Base-Backbone interact. energy: -1.485
local terms energy: -251.188381
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -54.089
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -69.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -702.038179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.038179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.038179 (E_RNA)
where:
Base-Base interactions energy: -470.628
where: short stacking energy: -238.625
Base-Backbone interact. energy: 0.311
local terms energy: -231.720812
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -55.837
flat angles P-C4'-P energy: -30.699
tors. eta vs tors. theta energy: -69.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -560.200578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.200578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.200578 (E_RNA)
where:
Base-Base interactions energy: -353.309
where: short stacking energy: -168.320
Base-Backbone interact. energy: -0.570
local terms energy: -206.321150
where:
bonds (distance) C4'-P energy: -50.614
bonds (distance) P-C4' energy: -44.081
flat angles C4'-P-C4' energy: -45.506
flat angles P-C4'-P energy: -29.877
tors. eta vs tors. theta energy: -36.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -427.349966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.349966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.349966 (E_RNA)
where:
Base-Base interactions energy: -252.257
where: short stacking energy: -116.666
Base-Backbone interact. energy: 1.905
local terms energy: -176.997673
where:
bonds (distance) C4'-P energy: -50.825
bonds (distance) P-C4' energy: -46.558
flat angles C4'-P-C4' energy: -37.439
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -254.455697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.455697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.455697 (E_RNA)
where:
Base-Base interactions energy: -91.805
where: short stacking energy: -86.691
Base-Backbone interact. energy: 4.037
local terms energy: -166.688006
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -37.768
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -982.179871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.179871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.179871 (E_RNA)
where:
Base-Base interactions energy: -675.681
where: short stacking energy: -275.662
Base-Backbone interact. energy: -0.741
local terms energy: -305.757702
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -65.052
flat angles P-C4'-P energy: -42.295
tors. eta vs tors. theta energy: -79.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -959.310157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.310157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.310157 (E_RNA)
where:
Base-Base interactions energy: -657.732
where: short stacking energy: -285.633
Base-Backbone interact. energy: -1.218
local terms energy: -300.360262
where:
bonds (distance) C4'-P energy: -52.969
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -67.952
flat angles P-C4'-P energy: -38.739
tors. eta vs tors. theta energy: -87.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -927.702525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.702525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.702525 (E_RNA)
where:
Base-Base interactions energy: -638.565
where: short stacking energy: -285.576
Base-Backbone interact. energy: -0.078
local terms energy: -289.060188
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -82.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -866.625008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.625008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.625008 (E_RNA)
where:
Base-Base interactions energy: -591.662
where: short stacking energy: -272.274
Base-Backbone interact. energy: -0.749
local terms energy: -274.214200
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -42.161
flat angles C4'-P-C4' energy: -65.961
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: -72.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -807.345698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.345698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.345698 (E_RNA)
where:
Base-Base interactions energy: -544.464
where: short stacking energy: -241.825
Base-Backbone interact. energy: -1.320
local terms energy: -261.561452
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -73.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -796.087189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.087189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.087189 (E_RNA)
where:
Base-Base interactions energy: -542.434
where: short stacking energy: -246.138
Base-Backbone interact. energy: -1.350
local terms energy: -252.302741
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -48.278
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -62.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -703.745048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.745048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.745048 (E_RNA)
where:
Base-Base interactions energy: -457.266
where: short stacking energy: -219.336
Base-Backbone interact. energy: -1.194
local terms energy: -245.284936
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -45.881
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -64.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -570.924552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.924552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.924552 (E_RNA)
where:
Base-Base interactions energy: -354.760
where: short stacking energy: -163.647
Base-Backbone interact. energy: -0.467
local terms energy: -215.697261
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -40.812
flat angles C4'-P-C4' energy: -56.969
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -41.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -432.366294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.366294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.366294 (E_RNA)
where:
Base-Base interactions energy: -238.059
where: short stacking energy: -111.409
Base-Backbone interact. energy: -2.569
local terms energy: -191.738116
where:
bonds (distance) C4'-P energy: -42.219
bonds (distance) P-C4' energy: -63.312
flat angles C4'-P-C4' energy: -43.616
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -253.091699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.091699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.091699 (E_RNA)
where:
Base-Base interactions energy: -104.422
where: short stacking energy: -70.492
Base-Backbone interact. energy: 2.418
local terms energy: -151.087848
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: 6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -990.552440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.552440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.552440 (E_RNA)
where:
Base-Base interactions energy: -681.035
where: short stacking energy: -294.494
Base-Backbone interact. energy: -0.841
local terms energy: -308.676178
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -61.259
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -95.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -964.259230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.259230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.259230 (E_RNA)
where:
Base-Base interactions energy: -663.276
where: short stacking energy: -268.019
Base-Backbone interact. energy: -3.048
local terms energy: -297.935042
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -64.027
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -82.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -919.166683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.166683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.166683 (E_RNA)
where:
Base-Base interactions energy: -633.327
where: short stacking energy: -266.583
Base-Backbone interact. energy: -1.089
local terms energy: -284.750230
where:
bonds (distance) C4'-P energy: -47.470
bonds (distance) P-C4' energy: -47.297
flat angles C4'-P-C4' energy: -59.250
flat angles P-C4'-P energy: -44.772
tors. eta vs tors. theta energy: -85.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -846.120370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.120370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.120370 (E_RNA)
where:
Base-Base interactions energy: -572.397
where: short stacking energy: -269.078
Base-Backbone interact. energy: 4.241
local terms energy: -277.965029
where:
bonds (distance) C4'-P energy: -46.787
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -43.472
tors. eta vs tors. theta energy: -76.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -811.885711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.885711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.885711 (E_RNA)
where:
Base-Base interactions energy: -551.027
where: short stacking energy: -230.648
Base-Backbone interact. energy: -1.032
local terms energy: -259.825827
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -57.185
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -60.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -793.124098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.124098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.124098 (E_RNA)
where:
Base-Base interactions energy: -533.758
where: short stacking energy: -247.674
Base-Backbone interact. energy: -1.658
local terms energy: -257.707872
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -60.380
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -79.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -687.770750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.770750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.770750 (E_RNA)
where:
Base-Base interactions energy: -438.757
where: short stacking energy: -190.876
Base-Backbone interact. energy: -0.553
local terms energy: -248.460785
where:
bonds (distance) C4'-P energy: -54.666
bonds (distance) P-C4' energy: -54.222
flat angles C4'-P-C4' energy: -49.524
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -55.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -546.441371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.441371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.441371 (E_RNA)
where:
Base-Base interactions energy: -338.576
where: short stacking energy: -161.605
Base-Backbone interact. energy: -1.428
local terms energy: -206.437682
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -430.979244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.979244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.979244 (E_RNA)
where:
Base-Base interactions energy: -233.691
where: short stacking energy: -134.414
Base-Backbone interact. energy: -0.229
local terms energy: -197.058889
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -56.056
flat angles C4'-P-C4' energy: -48.542
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -270.443744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.443744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.443744 (E_RNA)
where:
Base-Base interactions energy: -123.144
where: short stacking energy: -90.640
Base-Backbone interact. energy: -0.844
local terms energy: -146.456621
where:
bonds (distance) C4'-P energy: -45.623
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -37.790
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: 2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -986.757634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.757634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.757634 (E_RNA)
where:
Base-Base interactions energy: -678.308
where: short stacking energy: -290.494
Base-Backbone interact. energy: -1.136
local terms energy: -307.313251
where:
bonds (distance) C4'-P energy: -54.022
bonds (distance) P-C4' energy: -57.383
flat angles C4'-P-C4' energy: -64.124
flat angles P-C4'-P energy: -40.179
tors. eta vs tors. theta energy: -91.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -944.244548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.244548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.244548 (E_RNA)
where:
Base-Base interactions energy: -654.174
where: short stacking energy: -284.462
Base-Backbone interact. energy: 0.167
local terms energy: -290.237926
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -55.679
flat angles C4'-P-C4' energy: -61.470
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -93.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -947.292234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.292234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.292234 (E_RNA)
where:
Base-Base interactions energy: -661.930
where: short stacking energy: -282.204
Base-Backbone interact. energy: -0.126
local terms energy: -285.236270
where:
bonds (distance) C4'-P energy: -60.830
bonds (distance) P-C4' energy: -49.788
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -79.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -862.726110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.726110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.726110 (E_RNA)
where:
Base-Base interactions energy: -607.314
where: short stacking energy: -251.158
Base-Backbone interact. energy: -0.433
local terms energy: -254.979083
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -57.353
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -69.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -829.730766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.730766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.730766 (E_RNA)
where:
Base-Base interactions energy: -555.480
where: short stacking energy: -234.826
Base-Backbone interact. energy: -1.308
local terms energy: -272.942627
where:
bonds (distance) C4'-P energy: -56.430
bonds (distance) P-C4' energy: -60.591
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -66.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -798.890661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.890661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.890661 (E_RNA)
where:
Base-Base interactions energy: -548.140
where: short stacking energy: -248.006
Base-Backbone interact. energy: -0.980
local terms energy: -249.770298
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -70.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -690.130555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.130555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.130555 (E_RNA)
where:
Base-Base interactions energy: -439.091
where: short stacking energy: -211.138
Base-Backbone interact. energy: -0.854
local terms energy: -250.184958
where:
bonds (distance) C4'-P energy: -55.120
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -63.214
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -57.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -445.652470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.652470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.652470 (E_RNA)
where:
Base-Base interactions energy: -263.448
where: short stacking energy: -125.839
Base-Backbone interact. energy: -0.732
local terms energy: -181.473128
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -47.393
flat angles C4'-P-C4' energy: -40.561
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -501.242197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.242197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.242197 (E_RNA)
where:
Base-Base interactions energy: -300.981
where: short stacking energy: -152.371
Base-Backbone interact. energy: -0.486
local terms energy: -199.774890
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -248.913059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.913059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.913059 (E_RNA)
where:
Base-Base interactions energy: -98.234
where: short stacking energy: -69.972
Base-Backbone interact. energy: 1.872
local terms energy: -152.550867
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -33.158
tors. eta vs tors. theta energy: 8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -976.777982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.777982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.777982 (E_RNA)
where:
Base-Base interactions energy: -663.094
where: short stacking energy: -303.562
Base-Backbone interact. energy: -1.335
local terms energy: -312.349142
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -68.421
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -88.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -954.854213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.854213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.854213 (E_RNA)
where:
Base-Base interactions energy: -646.725
where: short stacking energy: -300.410
Base-Backbone interact. energy: -1.015
local terms energy: -307.113882
where:
bonds (distance) C4'-P energy: -46.256
bonds (distance) P-C4' energy: -63.461
flat angles C4'-P-C4' energy: -65.199
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -89.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -934.640475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.640475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.640475 (E_RNA)
where:
Base-Base interactions energy: -636.479
where: short stacking energy: -278.058
Base-Backbone interact. energy: 0.888
local terms energy: -299.049573
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -46.403
tors. eta vs tors. theta energy: -85.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -867.432375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.432375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.432375 (E_RNA)
where:
Base-Base interactions energy: -586.027
where: short stacking energy: -256.306
Base-Backbone interact. energy: 1.288
local terms energy: -282.692755
where:
bonds (distance) C4'-P energy: -53.715
bonds (distance) P-C4' energy: -55.337
flat angles C4'-P-C4' energy: -63.432
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: -69.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -852.245591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.245591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.245591 (E_RNA)
where:
Base-Base interactions energy: -567.646
where: short stacking energy: -253.371
Base-Backbone interact. energy: -0.507
local terms energy: -284.093109
where:
bonds (distance) C4'-P energy: -56.633
bonds (distance) P-C4' energy: -53.430
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -73.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -818.880227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.880227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.880227 (E_RNA)
where:
Base-Base interactions energy: -553.541
where: short stacking energy: -244.524
Base-Backbone interact. energy: 0.506
local terms energy: -265.845767
where:
bonds (distance) C4'-P energy: -47.452
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -42.927
tors. eta vs tors. theta energy: -74.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -662.986386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.986386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.986386 (E_RNA)
where:
Base-Base interactions energy: -421.391
where: short stacking energy: -201.810
Base-Backbone interact. energy: -0.279
local terms energy: -241.316683
where:
bonds (distance) C4'-P energy: -50.000
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -49.597
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: -56.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -419.051948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.051948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.051948 (E_RNA)
where:
Base-Base interactions energy: -228.788
where: short stacking energy: -120.932
Base-Backbone interact. energy: -2.646
local terms energy: -187.617670
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -55.458
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -32.557
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -509.368007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.368007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.368007 (E_RNA)
where:
Base-Base interactions energy: -330.533
where: short stacking energy: -146.627
Base-Backbone interact. energy: 1.145
local terms energy: -179.980301
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -43.852
flat angles C4'-P-C4' energy: -46.053
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -294.631124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.631124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.631124 (E_RNA)
where:
Base-Base interactions energy: -121.519
where: short stacking energy: -70.327
Base-Backbone interact. energy: -1.414
local terms energy: -171.698018
where:
bonds (distance) C4'-P energy: -41.835
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -45.771
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -998.910783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.910783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.910783 (E_RNA)
where:
Base-Base interactions energy: -675.363
where: short stacking energy: -303.003
Base-Backbone interact. energy: -1.313
local terms energy: -322.234895
where:
bonds (distance) C4'-P energy: -61.842
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -65.247
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -94.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -938.783084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.783084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.783084 (E_RNA)
where:
Base-Base interactions energy: -631.418
where: short stacking energy: -288.857
Base-Backbone interact. energy: -0.293
local terms energy: -307.072449
where:
bonds (distance) C4'-P energy: -57.300
bonds (distance) P-C4' energy: -44.342
flat angles C4'-P-C4' energy: -68.972
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: -91.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -924.029822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.029822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.029822 (E_RNA)
where:
Base-Base interactions energy: -624.253
where: short stacking energy: -256.434
Base-Backbone interact. energy: -2.904
local terms energy: -296.872329
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -63.686
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -81.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -869.446527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.446527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.446527 (E_RNA)
where:
Base-Base interactions energy: -602.477
where: short stacking energy: -270.041
Base-Backbone interact. energy: -0.719
local terms energy: -266.250471
where:
bonds (distance) C4'-P energy: -45.211
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -34.894
tors. eta vs tors. theta energy: -78.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -847.526602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.526602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.526602 (E_RNA)
where:
Base-Base interactions energy: -585.465
where: short stacking energy: -247.236
Base-Backbone interact. energy: -0.981
local terms energy: -261.080490
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -37.974
flat angles C4'-P-C4' energy: -53.941
flat angles P-C4'-P energy: -42.435
tors. eta vs tors. theta energy: -71.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -802.013442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.013442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.013442 (E_RNA)
where:
Base-Base interactions energy: -542.773
where: short stacking energy: -246.371
Base-Backbone interact. energy: -1.152
local terms energy: -258.088269
where:
bonds (distance) C4'-P energy: -44.071
bonds (distance) P-C4' energy: -49.113
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -39.341
tors. eta vs tors. theta energy: -74.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -696.040913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.040913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.040913 (E_RNA)
where:
Base-Base interactions energy: -451.273
where: short stacking energy: -223.373
Base-Backbone interact. energy: -1.483
local terms energy: -243.284803
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -45.961
flat angles C4'-P-C4' energy: -54.474
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: -56.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -502.254918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.254918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.254918 (E_RNA)
where:
Base-Base interactions energy: -310.942
where: short stacking energy: -158.380
Base-Backbone interact. energy: 0.071
local terms energy: -191.384068
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -373.972506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.972506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.972506 (E_RNA)
where:
Base-Base interactions energy: -198.033
where: short stacking energy: -108.107
Base-Backbone interact. energy: 1.062
local terms energy: -177.001092
where:
bonds (distance) C4'-P energy: -45.094
bonds (distance) P-C4' energy: -60.843
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -331.031320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.031320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.031320 (E_RNA)
where:
Base-Base interactions energy: -158.041
where: short stacking energy: -86.090
Base-Backbone interact. energy: -0.732
local terms energy: -172.258505
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -42.113
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -990.975067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.975067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.975067 (E_RNA)
where:
Base-Base interactions energy: -677.246
where: short stacking energy: -284.411
Base-Backbone interact. energy: -0.851
local terms energy: -312.878517
where:
bonds (distance) C4'-P energy: -61.022
bonds (distance) P-C4' energy: -53.244
flat angles C4'-P-C4' energy: -68.843
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -88.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -935.406716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.406716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.406716 (E_RNA)
where:
Base-Base interactions energy: -643.169
where: short stacking energy: -289.270
Base-Backbone interact. energy: 1.674
local terms energy: -293.911988
where:
bonds (distance) C4'-P energy: -46.627
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -57.101
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -88.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -937.959868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.959868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.959868 (E_RNA)
where:
Base-Base interactions energy: -658.079
where: short stacking energy: -279.038
Base-Backbone interact. energy: -2.300
local terms energy: -277.581059
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -48.372
flat angles C4'-P-C4' energy: -61.448
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -76.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -867.005374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.005374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.005374 (E_RNA)
where:
Base-Base interactions energy: -576.883
where: short stacking energy: -274.035
Base-Backbone interact. energy: -1.951
local terms energy: -288.171663
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -60.286
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -39.121
tors. eta vs tors. theta energy: -79.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -828.218973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.218973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.218973 (E_RNA)
where:
Base-Base interactions energy: -565.573
where: short stacking energy: -246.415
Base-Backbone interact. energy: -2.209
local terms energy: -260.436508
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -38.642
flat angles C4'-P-C4' energy: -61.070
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -66.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -782.798727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.798727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.798727 (E_RNA)
where:
Base-Base interactions energy: -520.361
where: short stacking energy: -232.010
Base-Backbone interact. energy: -2.051
local terms energy: -260.386833
where:
bonds (distance) C4'-P energy: -41.426
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -56.822
flat angles P-C4'-P energy: -36.994
tors. eta vs tors. theta energy: -74.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -680.475245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.475245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.475245 (E_RNA)
where:
Base-Base interactions energy: -429.564
where: short stacking energy: -211.313
Base-Backbone interact. energy: 1.276
local terms energy: -252.187432
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -58.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -496.846584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.846584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.846584 (E_RNA)
where:
Base-Base interactions energy: -279.576
where: short stacking energy: -138.716
Base-Backbone interact. energy: -1.281
local terms energy: -215.989907
where:
bonds (distance) C4'-P energy: -46.945
bonds (distance) P-C4' energy: -53.948
flat angles C4'-P-C4' energy: -50.146
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -385.867437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.867437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.867437 (E_RNA)
where:
Base-Base interactions energy: -198.621
where: short stacking energy: -105.183
Base-Backbone interact. energy: -0.108
local terms energy: -187.138502
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -60.498
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -242.321919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.321919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.321919 (E_RNA)
where:
Base-Base interactions energy: -87.492
where: short stacking energy: -54.427
Base-Backbone interact. energy: -2.016
local terms energy: -152.813549
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -53.447
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: 4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -997.727919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.727919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.727919 (E_RNA)
where:
Base-Base interactions energy: -675.736
where: short stacking energy: -289.462
Base-Backbone interact. energy: -0.602
local terms energy: -321.390428
where:
bonds (distance) C4'-P energy: -52.433
bonds (distance) P-C4' energy: -63.782
flat angles C4'-P-C4' energy: -71.484
flat angles P-C4'-P energy: -41.858
tors. eta vs tors. theta energy: -91.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -938.909314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.909314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.909314 (E_RNA)
where:
Base-Base interactions energy: -622.093
where: short stacking energy: -281.467
Base-Backbone interact. energy: -0.275
local terms energy: -316.541127
where:
bonds (distance) C4'-P energy: -54.515
bonds (distance) P-C4' energy: -67.370
flat angles C4'-P-C4' energy: -62.699
flat angles P-C4'-P energy: -48.369
tors. eta vs tors. theta energy: -83.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -929.614685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.614685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.614685 (E_RNA)
where:
Base-Base interactions energy: -629.652
where: short stacking energy: -280.105
Base-Backbone interact. energy: -1.504
local terms energy: -298.458153
where:
bonds (distance) C4'-P energy: -63.582
bonds (distance) P-C4' energy: -49.857
flat angles C4'-P-C4' energy: -58.902
flat angles P-C4'-P energy: -40.627
tors. eta vs tors. theta energy: -85.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -892.349414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.349414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.349414 (E_RNA)
where:
Base-Base interactions energy: -593.601
where: short stacking energy: -257.803
Base-Backbone interact. energy: 1.432
local terms energy: -300.180394
where:
bonds (distance) C4'-P energy: -56.752
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -66.226
flat angles P-C4'-P energy: -47.289
tors. eta vs tors. theta energy: -74.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -827.962638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.962638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.962638 (E_RNA)
where:
Base-Base interactions energy: -560.277
where: short stacking energy: -228.872
Base-Backbone interact. energy: -1.983
local terms energy: -265.701661
where:
bonds (distance) C4'-P energy: -55.127
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -56.592
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -62.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -832.533592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.533592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.533592 (E_RNA)
where:
Base-Base interactions energy: -554.627
where: short stacking energy: -240.279
Base-Backbone interact. energy: -1.016
local terms energy: -276.890241
where:
bonds (distance) C4'-P energy: -56.484
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -73.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -670.654449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.654449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.654449 (E_RNA)
where:
Base-Base interactions energy: -440.714
where: short stacking energy: -196.083
Base-Backbone interact. energy: -0.473
local terms energy: -229.467841
where:
bonds (distance) C4'-P energy: -40.523
bonds (distance) P-C4' energy: -55.271
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -48.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -515.734971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.734971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.734971 (E_RNA)
where:
Base-Base interactions energy: -313.745
where: short stacking energy: -156.042
Base-Backbone interact. energy: -1.427
local terms energy: -200.562549
where:
bonds (distance) C4'-P energy: -34.154
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -34.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -364.187711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.187711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.187711 (E_RNA)
where:
Base-Base interactions energy: -179.891
where: short stacking energy: -93.904
Base-Backbone interact. energy: 0.908
local terms energy: -185.204972
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -42.303
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -231.328627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.328627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.328627 (E_RNA)
where:
Base-Base interactions energy: -82.692
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.482
local terms energy: -148.153853
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -23.274
tors. eta vs tors. theta energy: 7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -988.601756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.601756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.601756 (E_RNA)
where:
Base-Base interactions energy: -662.350
where: short stacking energy: -294.950
Base-Backbone interact. energy: 0.130
local terms energy: -326.382117
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -57.745
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -49.706
tors. eta vs tors. theta energy: -94.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -952.224020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.224020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.224020 (E_RNA)
where:
Base-Base interactions energy: -636.818
where: short stacking energy: -284.188
Base-Backbone interact. energy: -0.403
local terms energy: -315.003029
where:
bonds (distance) C4'-P energy: -64.141
bonds (distance) P-C4' energy: -59.021
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -46.047
tors. eta vs tors. theta energy: -87.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -925.371006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.371006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.371006 (E_RNA)
where:
Base-Base interactions energy: -643.383
where: short stacking energy: -267.823
Base-Backbone interact. energy: -0.779
local terms energy: -281.208940
where:
bonds (distance) C4'-P energy: -53.069
bonds (distance) P-C4' energy: -62.228
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -34.843
tors. eta vs tors. theta energy: -75.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -884.672644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.672644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.672644 (E_RNA)
where:
Base-Base interactions energy: -588.980
where: short stacking energy: -256.739
Base-Backbone interact. energy: -1.806
local terms energy: -293.886595
where:
bonds (distance) C4'-P energy: -49.947
bonds (distance) P-C4' energy: -57.238
flat angles C4'-P-C4' energy: -63.209
flat angles P-C4'-P energy: -43.793
tors. eta vs tors. theta energy: -79.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -827.864344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.864344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.864344 (E_RNA)
where:
Base-Base interactions energy: -579.534
where: short stacking energy: -246.119
Base-Backbone interact. energy: -2.119
local terms energy: -246.211177
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -32.447
tors. eta vs tors. theta energy: -62.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -783.456893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.456893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.456893 (E_RNA)
where:
Base-Base interactions energy: -512.802
where: short stacking energy: -229.316
Base-Backbone interact. energy: -2.273
local terms energy: -268.381664
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -32.201
tors. eta vs tors. theta energy: -75.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -663.463255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.463255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.463255 (E_RNA)
where:
Base-Base interactions energy: -406.016
where: short stacking energy: -194.607
Base-Backbone interact. energy: 0.049
local terms energy: -257.495914
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -58.431
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -61.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -500.062126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.062126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.062126 (E_RNA)
where:
Base-Base interactions energy: -304.010
where: short stacking energy: -150.475
Base-Backbone interact. energy: -1.107
local terms energy: -194.945284
where:
bonds (distance) C4'-P energy: -46.738
bonds (distance) P-C4' energy: -55.293
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -26.864
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -376.230963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.230963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.230963 (E_RNA)
where:
Base-Base interactions energy: -201.815
where: short stacking energy: -115.753
Base-Backbone interact. energy: -0.151
local terms energy: -174.265542
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -38.188
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: -7.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -244.140481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.140481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.140481 (E_RNA)
where:
Base-Base interactions energy: -85.184
where: short stacking energy: -79.237
Base-Backbone interact. energy: 0.405
local terms energy: -159.362036
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -57.599
flat angles C4'-P-C4' energy: -56.926
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: 11.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -993.941062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.941062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.941062 (E_RNA)
where:
Base-Base interactions energy: -672.023
where: short stacking energy: -303.510
Base-Backbone interact. energy: -0.810
local terms energy: -321.108127
where:
bonds (distance) C4'-P energy: -56.062
bonds (distance) P-C4' energy: -56.346
flat angles C4'-P-C4' energy: -62.796
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -98.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -932.943119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.943119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.943119 (E_RNA)
where:
Base-Base interactions energy: -645.436
where: short stacking energy: -262.117
Base-Backbone interact. energy: -2.257
local terms energy: -285.249654
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -51.836
flat angles C4'-P-C4' energy: -59.180
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -73.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -928.935470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.935470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.935470 (E_RNA)
where:
Base-Base interactions energy: -617.603
where: short stacking energy: -278.260
Base-Backbone interact. energy: -0.818
local terms energy: -310.514562
where:
bonds (distance) C4'-P energy: -54.557
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -64.135
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -90.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -889.862826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.862826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.862826 (E_RNA)
where:
Base-Base interactions energy: -582.775
where: short stacking energy: -264.065
Base-Backbone interact. energy: -0.017
local terms energy: -307.070748
where:
bonds (distance) C4'-P energy: -62.660
bonds (distance) P-C4' energy: -60.802
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -43.766
tors. eta vs tors. theta energy: -79.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -828.768162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.768162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.768162 (E_RNA)
where:
Base-Base interactions energy: -582.382
where: short stacking energy: -256.152
Base-Backbone interact. energy: -3.166
local terms energy: -243.219227
where:
bonds (distance) C4'-P energy: -52.451
bonds (distance) P-C4' energy: -34.481
flat angles C4'-P-C4' energy: -47.827
flat angles P-C4'-P energy: -43.130
tors. eta vs tors. theta energy: -65.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -674.744976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.744976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.744976 (E_RNA)
where:
Base-Base interactions energy: -427.032
where: short stacking energy: -213.685
Base-Backbone interact. energy: -1.551
local terms energy: -246.162508
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -51.837
flat angles P-C4'-P energy: -32.380
tors. eta vs tors. theta energy: -55.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -773.384902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.384902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.384902 (E_RNA)
where:
Base-Base interactions energy: -530.127
where: short stacking energy: -232.852
Base-Backbone interact. energy: -0.260
local terms energy: -242.996984
where:
bonds (distance) C4'-P energy: -36.411
bonds (distance) P-C4' energy: -49.342
flat angles C4'-P-C4' energy: -47.990
flat angles P-C4'-P energy: -36.225
tors. eta vs tors. theta energy: -73.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -502.679995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.679995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.679995 (E_RNA)
where:
Base-Base interactions energy: -297.826
where: short stacking energy: -153.518
Base-Backbone interact. energy: -1.138
local terms energy: -203.716100
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -52.773
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -34.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -376.620349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.620349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.620349 (E_RNA)
where:
Base-Base interactions energy: -190.424
where: short stacking energy: -105.596
Base-Backbone interact. energy: 4.002
local terms energy: -190.198008
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -51.215
flat angles C4'-P-C4' energy: -44.315
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -235.386921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.386921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.386921 (E_RNA)
where:
Base-Base interactions energy: -89.271
where: short stacking energy: -60.606
Base-Backbone interact. energy: 3.884
local terms energy: -150.000077
where:
bonds (distance) C4'-P energy: -50.822
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -40.740
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: 11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -971.232754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.232754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.232754 (E_RNA)
where:
Base-Base interactions energy: -656.579
where: short stacking energy: -263.824
Base-Backbone interact. energy: -2.843
local terms energy: -311.810566
where:
bonds (distance) C4'-P energy: -63.843
bonds (distance) P-C4' energy: -60.922
flat angles C4'-P-C4' energy: -62.816
flat angles P-C4'-P energy: -46.583
tors. eta vs tors. theta energy: -77.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -969.928859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.928859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.928859 (E_RNA)
where:
Base-Base interactions energy: -665.425
where: short stacking energy: -301.843
Base-Backbone interact. energy: -0.456
local terms energy: -304.048231
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -91.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -907.327358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.327358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.327358 (E_RNA)
where:
Base-Base interactions energy: -609.100
where: short stacking energy: -268.209
Base-Backbone interact. energy: -0.764
local terms energy: -297.463563
where:
bonds (distance) C4'-P energy: -57.798
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -64.219
flat angles P-C4'-P energy: -35.497
tors. eta vs tors. theta energy: -83.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -878.388163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.388163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.388163 (E_RNA)
where:
Base-Base interactions energy: -600.235
where: short stacking energy: -275.068
Base-Backbone interact. energy: -0.939
local terms energy: -277.214006
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -75.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -807.613184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.613184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.613184 (E_RNA)
where:
Base-Base interactions energy: -555.936
where: short stacking energy: -233.694
Base-Backbone interact. energy: -0.945
local terms energy: -250.732172
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -36.313
tors. eta vs tors. theta energy: -60.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -687.733129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.733129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.733129 (E_RNA)
where:
Base-Base interactions energy: -427.145
where: short stacking energy: -211.850
Base-Backbone interact. energy: -1.548
local terms energy: -259.039918
where:
bonds (distance) C4'-P energy: -53.925
bonds (distance) P-C4' energy: -57.718
flat angles C4'-P-C4' energy: -50.021
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -51.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -716.428543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.428543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.428543 (E_RNA)
where:
Base-Base interactions energy: -499.357
where: short stacking energy: -227.989
Base-Backbone interact. energy: -0.420
local terms energy: -216.651151
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -53.634
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -55.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -489.661864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.661864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.661864 (E_RNA)
where:
Base-Base interactions energy: -287.969
where: short stacking energy: -155.419
Base-Backbone interact. energy: 0.839
local terms energy: -202.532188
where:
bonds (distance) C4'-P energy: -48.409
bonds (distance) P-C4' energy: -42.978
flat angles C4'-P-C4' energy: -43.711
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -29.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -350.518117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.518117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.518117 (E_RNA)
where:
Base-Base interactions energy: -177.330
where: short stacking energy: -113.866
Base-Backbone interact. energy: 0.187
local terms energy: -173.374449
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -45.005
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -243.074578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.074578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.074578 (E_RNA)
where:
Base-Base interactions energy: -78.402
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.310
local terms energy: -164.362467
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -21.579
tors. eta vs tors. theta energy: 4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -966.524822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.524822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.524822 (E_RNA)
where:
Base-Base interactions energy: -687.950
where: short stacking energy: -274.125
Base-Backbone interact. energy: -1.835
local terms energy: -276.739518
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -55.943
flat angles C4'-P-C4' energy: -59.228
flat angles P-C4'-P energy: -36.051
tors. eta vs tors. theta energy: -72.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -983.402273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.402273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.402273 (E_RNA)
where:
Base-Base interactions energy: -677.977
where: short stacking energy: -273.245
Base-Backbone interact. energy: -0.471
local terms energy: -304.953978
where:
bonds (distance) C4'-P energy: -53.702
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -67.112
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -87.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -934.640540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.640540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.640540 (E_RNA)
where:
Base-Base interactions energy: -635.825
where: short stacking energy: -292.735
Base-Backbone interact. energy: -0.277
local terms energy: -298.537976
where:
bonds (distance) C4'-P energy: -53.597
bonds (distance) P-C4' energy: -49.865
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -50.632
tors. eta vs tors. theta energy: -84.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -895.908229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.908229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.908229 (E_RNA)
where:
Base-Base interactions energy: -609.098
where: short stacking energy: -266.779
Base-Backbone interact. energy: -0.771
local terms energy: -286.038879
where:
bonds (distance) C4'-P energy: -53.038
bonds (distance) P-C4' energy: -58.012
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -82.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -832.608951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.608951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.608951 (E_RNA)
where:
Base-Base interactions energy: -569.405
where: short stacking energy: -244.706
Base-Backbone interact. energy: 0.564
local terms energy: -263.767411
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -54.429
flat angles C4'-P-C4' energy: -59.953
flat angles P-C4'-P energy: -38.075
tors. eta vs tors. theta energy: -67.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -728.891769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.891769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.891769 (E_RNA)
where:
Base-Base interactions energy: -487.845
where: short stacking energy: -218.850
Base-Backbone interact. energy: -0.599
local terms energy: -240.447654
where:
bonds (distance) C4'-P energy: -46.199
bonds (distance) P-C4' energy: -47.974
flat angles C4'-P-C4' energy: -58.652
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: -61.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -717.947342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.947342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.947342 (E_RNA)
where:
Base-Base interactions energy: -472.642
where: short stacking energy: -234.074
Base-Backbone interact. energy: 1.958
local terms energy: -247.263409
where:
bonds (distance) C4'-P energy: -36.434
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -56.324
flat angles P-C4'-P energy: -35.563
tors. eta vs tors. theta energy: -64.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -457.015294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.015294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.015294 (E_RNA)
where:
Base-Base interactions energy: -282.072
where: short stacking energy: -155.122
Base-Backbone interact. energy: 1.255
local terms energy: -176.198272
where:
bonds (distance) C4'-P energy: -50.867
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -350.815561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.815561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.815561 (E_RNA)
where:
Base-Base interactions energy: -183.619
where: short stacking energy: -105.048
Base-Backbone interact. energy: -0.842
local terms energy: -166.354550
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -55.446
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -261.216082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.216082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.216082 (E_RNA)
where:
Base-Base interactions energy: -102.483
where: short stacking energy: -93.303
Base-Backbone interact. energy: 1.205
local terms energy: -159.937779
where:
bonds (distance) C4'-P energy: -51.050
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -32.509
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -984.070322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.070322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.070322 (E_RNA)
where:
Base-Base interactions energy: -681.121
where: short stacking energy: -286.278
Base-Backbone interact. energy: 0.195
local terms energy: -303.144262
where:
bonds (distance) C4'-P energy: -61.383
bonds (distance) P-C4' energy: -53.362
flat angles C4'-P-C4' energy: -59.546
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: -82.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -951.128187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.128187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.128187 (E_RNA)
where:
Base-Base interactions energy: -653.910
where: short stacking energy: -283.380
Base-Backbone interact. energy: -0.494
local terms energy: -296.724881
where:
bonds (distance) C4'-P energy: -59.661
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -61.758
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -78.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -922.163257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.163257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.163257 (E_RNA)
where:
Base-Base interactions energy: -615.418
where: short stacking energy: -276.121
Base-Backbone interact. energy: -1.108
local terms energy: -305.637742
where:
bonds (distance) C4'-P energy: -55.172
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -63.630
flat angles P-C4'-P energy: -41.354
tors. eta vs tors. theta energy: -85.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -925.063634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.063634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.063634 (E_RNA)
where:
Base-Base interactions energy: -629.636
where: short stacking energy: -279.204
Base-Backbone interact. energy: -0.111
local terms energy: -295.316830
where:
bonds (distance) C4'-P energy: -52.761
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -59.416
flat angles P-C4'-P energy: -39.847
tors. eta vs tors. theta energy: -88.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -850.855870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.855870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.855870 (E_RNA)
where:
Base-Base interactions energy: -577.640
where: short stacking energy: -266.902
Base-Backbone interact. energy: -0.816
local terms energy: -272.399917
where:
bonds (distance) C4'-P energy: -49.609
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -62.923
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -71.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -748.856293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.856293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.856293 (E_RNA)
where:
Base-Base interactions energy: -512.313
where: short stacking energy: -222.330
Base-Backbone interact. energy: -1.223
local terms energy: -235.320673
where:
bonds (distance) C4'-P energy: -43.051
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -50.386
flat angles P-C4'-P energy: -39.631
tors. eta vs tors. theta energy: -57.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -704.881531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.881531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.881531 (E_RNA)
where:
Base-Base interactions energy: -455.317
where: short stacking energy: -203.744
Base-Backbone interact. energy: -0.907
local terms energy: -248.657945
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -55.671
flat angles C4'-P-C4' energy: -55.596
flat angles P-C4'-P energy: -30.414
tors. eta vs tors. theta energy: -54.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -469.910290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.910290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.910290 (E_RNA)
where:
Base-Base interactions energy: -265.191
where: short stacking energy: -129.799
Base-Backbone interact. energy: -1.654
local terms energy: -203.065163
where:
bonds (distance) C4'-P energy: -57.148
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -41.599
flat angles P-C4'-P energy: -31.616
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -279.809768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.809768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.809768 (E_RNA)
where:
Base-Base interactions energy: -102.526
where: short stacking energy: -87.028
Base-Backbone interact. energy: 0.220
local terms energy: -177.503188
where:
bonds (distance) C4'-P energy: -49.766
bonds (distance) P-C4' energy: -53.530
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -329.933466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.933466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.933466 (E_RNA)
where:
Base-Base interactions energy: -170.178
where: short stacking energy: -98.331
Base-Backbone interact. energy: -0.624
local terms energy: -159.131415
where:
bonds (distance) C4'-P energy: -43.310
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: -10.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -993.542754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.542754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.542754 (E_RNA)
where:
Base-Base interactions energy: -683.553
where: short stacking energy: -292.180
Base-Backbone interact. energy: -0.201
local terms energy: -309.788630
where:
bonds (distance) C4'-P energy: -61.192
bonds (distance) P-C4' energy: -51.698
flat angles C4'-P-C4' energy: -64.203
flat angles P-C4'-P energy: -44.073
tors. eta vs tors. theta energy: -88.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -943.961406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.961406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.961406 (E_RNA)
where:
Base-Base interactions energy: -653.725
where: short stacking energy: -284.734
Base-Backbone interact. energy: -0.275
local terms energy: -289.961408
where:
bonds (distance) C4'-P energy: -59.059
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: -78.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -925.073964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.073964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.073964 (E_RNA)
where:
Base-Base interactions energy: -633.293
where: short stacking energy: -278.227
Base-Backbone interact. energy: -0.195
local terms energy: -291.586509
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -47.626
flat angles C4'-P-C4' energy: -64.604
flat angles P-C4'-P energy: -44.351
tors. eta vs tors. theta energy: -83.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -931.257200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.257200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.257200 (E_RNA)
where:
Base-Base interactions energy: -633.810
where: short stacking energy: -275.670
Base-Backbone interact. energy: -0.974
local terms energy: -296.472857
where:
bonds (distance) C4'-P energy: -45.122
bonds (distance) P-C4' energy: -53.961
flat angles C4'-P-C4' energy: -60.714
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -91.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -850.022701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.022701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.022701 (E_RNA)
where:
Base-Base interactions energy: -579.229
where: short stacking energy: -240.932
Base-Backbone interact. energy: -0.512
local terms energy: -270.281998
where:
bonds (distance) C4'-P energy: -46.239
bonds (distance) P-C4' energy: -53.069
flat angles C4'-P-C4' energy: -65.233
flat angles P-C4'-P energy: -41.774
tors. eta vs tors. theta energy: -63.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -711.162518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.162518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.162518 (E_RNA)
where:
Base-Base interactions energy: -463.348
where: short stacking energy: -212.621
Base-Backbone interact. energy: -1.361
local terms energy: -246.453473
where:
bonds (distance) C4'-P energy: -52.038
bonds (distance) P-C4' energy: -54.774
flat angles C4'-P-C4' energy: -44.517
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -55.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -719.640310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.640310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.640310 (E_RNA)
where:
Base-Base interactions energy: -468.774
where: short stacking energy: -220.943
Base-Backbone interact. energy: 0.198
local terms energy: -251.064200
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -56.258
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -59.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -297.278955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.278955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.278955 (E_RNA)
where:
Base-Base interactions energy: -118.402
where: short stacking energy: -111.062
Base-Backbone interact. energy: -0.048
local terms energy: -178.828910
where:
bonds (distance) C4'-P energy: -49.166
bonds (distance) P-C4' energy: -51.310
flat angles C4'-P-C4' energy: -38.871
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -454.871094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.871094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.871094 (E_RNA)
where:
Base-Base interactions energy: -257.647
where: short stacking energy: -110.637
Base-Backbone interact. energy: -1.117
local terms energy: -196.106601
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -60.044
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -362.373710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.373710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.373710 (E_RNA)
where:
Base-Base interactions energy: -198.510
where: short stacking energy: -118.877
Base-Backbone interact. energy: 0.173
local terms energy: -164.036910
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -38.133
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1000.109819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.109819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.109819 (E_RNA)
where:
Base-Base interactions energy: -685.201
where: short stacking energy: -300.993
Base-Backbone interact. energy: -0.760
local terms energy: -314.149233
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -60.393
flat angles C4'-P-C4' energy: -62.999
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: -94.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -956.644659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.644659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.644659 (E_RNA)
where:
Base-Base interactions energy: -667.868
where: short stacking energy: -285.292
Base-Backbone interact. energy: -3.308
local terms energy: -285.468520
where:
bonds (distance) C4'-P energy: -43.397
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -62.610
flat angles P-C4'-P energy: -40.986
tors. eta vs tors. theta energy: -83.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -930.648496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.648496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.648496 (E_RNA)
where:
Base-Base interactions energy: -618.274
where: short stacking energy: -279.943
Base-Backbone interact. energy: -2.258
local terms energy: -310.116833
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -62.167
flat angles C4'-P-C4' energy: -63.343
flat angles P-C4'-P energy: -49.445
tors. eta vs tors. theta energy: -83.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -939.778141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.778141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.778141 (E_RNA)
where:
Base-Base interactions energy: -645.570
where: short stacking energy: -290.764
Base-Backbone interact. energy: 0.352
local terms energy: -294.559855
where:
bonds (distance) C4'-P energy: -54.782
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -64.248
flat angles P-C4'-P energy: -38.890
tors. eta vs tors. theta energy: -83.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -839.174931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.174931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.174931 (E_RNA)
where:
Base-Base interactions energy: -568.815
where: short stacking energy: -238.131
Base-Backbone interact. energy: 0.302
local terms energy: -270.661524
where:
bonds (distance) C4'-P energy: -47.768
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -65.774
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -67.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -727.350178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.350178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.350178 (E_RNA)
where:
Base-Base interactions energy: -479.776
where: short stacking energy: -211.696
Base-Backbone interact. energy: -2.234
local terms energy: -245.339708
where:
bonds (distance) C4'-P energy: -54.300
bonds (distance) P-C4' energy: -56.777
flat angles C4'-P-C4' energy: -41.617
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -57.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -720.901223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.901223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.901223 (E_RNA)
where:
Base-Base interactions energy: -458.360
where: short stacking energy: -221.582
Base-Backbone interact. energy: -0.562
local terms energy: -261.980025
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -55.317
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -63.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -291.481257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.481257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.481257 (E_RNA)
where:
Base-Base interactions energy: -113.185
where: short stacking energy: -83.699
Base-Backbone interact. energy: -3.461
local terms energy: -174.834857
where:
bonds (distance) C4'-P energy: -44.481
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: 1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -408.017254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.017254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.017254 (E_RNA)
where:
Base-Base interactions energy: -243.092
where: short stacking energy: -115.269
Base-Backbone interact. energy: 1.456
local terms energy: -166.381610
where:
bonds (distance) C4'-P energy: -52.166
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -328.506281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.506281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.506281 (E_RNA)
where:
Base-Base interactions energy: -186.768
where: short stacking energy: -89.923
Base-Backbone interact. energy: -1.443
local terms energy: -140.294653
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: 2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -990.073281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.073281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.073281 (E_RNA)
where:
Base-Base interactions energy: -668.134
where: short stacking energy: -293.405
Base-Backbone interact. energy: -2.261
local terms energy: -319.678196
where:
bonds (distance) C4'-P energy: -61.552
bonds (distance) P-C4' energy: -63.245
flat angles C4'-P-C4' energy: -63.664
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -87.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -938.713636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.713636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.713636 (E_RNA)
where:
Base-Base interactions energy: -662.424
where: short stacking energy: -269.490
Base-Backbone interact. energy: -2.435
local terms energy: -273.854532
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -51.024
flat angles C4'-P-C4' energy: -57.141
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -74.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -938.675261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.675261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.675261 (E_RNA)
where:
Base-Base interactions energy: -633.744
where: short stacking energy: -281.507
Base-Backbone interact. energy: -0.009
local terms energy: -304.922085
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -60.136
flat angles C4'-P-C4' energy: -56.310
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -88.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -912.442430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.442430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.442430 (E_RNA)
where:
Base-Base interactions energy: -631.227
where: short stacking energy: -280.369
Base-Backbone interact. energy: -0.347
local terms energy: -280.868856
where:
bonds (distance) C4'-P energy: -45.862
bonds (distance) P-C4' energy: -52.022
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -80.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -838.255454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.255454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.255454 (E_RNA)
where:
Base-Base interactions energy: -570.032
where: short stacking energy: -247.486
Base-Backbone interact. energy: -1.029
local terms energy: -267.194943
where:
bonds (distance) C4'-P energy: -48.351
bonds (distance) P-C4' energy: -59.013
flat angles C4'-P-C4' energy: -60.774
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -63.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -733.992782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.992782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.992782 (E_RNA)
where:
Base-Base interactions energy: -484.893
where: short stacking energy: -215.235
Base-Backbone interact. energy: 0.002
local terms energy: -249.101840
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -60.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -667.759127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.759127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.759127 (E_RNA)
where:
Base-Base interactions energy: -442.146
where: short stacking energy: -209.627
Base-Backbone interact. energy: -0.680
local terms energy: -224.933516
where:
bonds (distance) C4'-P energy: -40.617
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -59.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -423.421650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.421650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.421650 (E_RNA)
where:
Base-Base interactions energy: -244.745
where: short stacking energy: -114.377
Base-Backbone interact. energy: 3.566
local terms energy: -182.242430
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -45.149
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -274.752394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.752394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.752394 (E_RNA)
where:
Base-Base interactions energy: -92.006
where: short stacking energy: -84.232
Base-Backbone interact. energy: 0.764
local terms energy: -183.510428
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -45.077
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -348.913997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.913997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.913997 (E_RNA)
where:
Base-Base interactions energy: -184.082
where: short stacking energy: -98.095
Base-Backbone interact. energy: 0.474
local terms energy: -165.306571
where:
bonds (distance) C4'-P energy: -50.830
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: 2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -991.295864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.295864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.295864 (E_RNA)
where:
Base-Base interactions energy: -674.018
where: short stacking energy: -308.134
Base-Backbone interact. energy: -1.490
local terms energy: -315.788556
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -56.107
flat angles C4'-P-C4' energy: -64.299
flat angles P-C4'-P energy: -45.426
tors. eta vs tors. theta energy: -93.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -930.328258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.328258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.328258 (E_RNA)
where:
Base-Base interactions energy: -633.899
where: short stacking energy: -277.644
Base-Backbone interact. energy: -2.151
local terms energy: -294.279017
where:
bonds (distance) C4'-P energy: -47.887
bonds (distance) P-C4' energy: -56.950
flat angles C4'-P-C4' energy: -65.015
flat angles P-C4'-P energy: -47.414
tors. eta vs tors. theta energy: -77.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -933.232462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.232462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.232462 (E_RNA)
where:
Base-Base interactions energy: -653.034
where: short stacking energy: -291.377
Base-Backbone interact. energy: -0.108
local terms energy: -280.090468
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -51.883
flat angles C4'-P-C4' energy: -64.386
flat angles P-C4'-P energy: -29.470
tors. eta vs tors. theta energy: -87.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -894.652456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.652456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.652456 (E_RNA)
where:
Base-Base interactions energy: -627.818
where: short stacking energy: -273.189
Base-Backbone interact. energy: -0.682
local terms energy: -266.152910
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -59.516
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -77.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -812.059764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.059764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.059764 (E_RNA)
where:
Base-Base interactions energy: -555.512
where: short stacking energy: -236.624
Base-Backbone interact. energy: -0.639
local terms energy: -255.909180
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -63.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -803.428521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.428521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.428521 (E_RNA)
where:
Base-Base interactions energy: -556.192
where: short stacking energy: -261.937
Base-Backbone interact. energy: 0.621
local terms energy: -247.857362
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -50.508
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -71.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -673.048935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.048935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.048935 (E_RNA)
where:
Base-Base interactions energy: -450.595
where: short stacking energy: -208.365
Base-Backbone interact. energy: -0.330
local terms energy: -222.124356
where:
bonds (distance) C4'-P energy: -37.660
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -45.865
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -51.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -457.232605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.232605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.232605 (E_RNA)
where:
Base-Base interactions energy: -279.589
where: short stacking energy: -136.250
Base-Backbone interact. energy: -0.102
local terms energy: -177.542104
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -51.616
flat angles C4'-P-C4' energy: -44.225
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -441.853470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.853470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.853470 (E_RNA)
where:
Base-Base interactions energy: -264.778
where: short stacking energy: -114.554
Base-Backbone interact. energy: 0.413
local terms energy: -177.488890
where:
bonds (distance) C4'-P energy: -37.636
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -254.699388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.699388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.699388 (E_RNA)
where:
Base-Base interactions energy: -96.121
where: short stacking energy: -71.292
Base-Backbone interact. energy: 2.514
local terms energy: -161.093220
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -48.345
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: 9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -995.206923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.206923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.206923 (E_RNA)
where:
Base-Base interactions energy: -679.090
where: short stacking energy: -300.046
Base-Backbone interact. energy: -1.048
local terms energy: -315.068579
where:
bonds (distance) C4'-P energy: -54.894
bonds (distance) P-C4' energy: -60.838
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -43.336
tors. eta vs tors. theta energy: -92.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -932.189791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.189791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.189791 (E_RNA)
where:
Base-Base interactions energy: -650.584
where: short stacking energy: -268.703
Base-Backbone interact. energy: -1.721
local terms energy: -279.884633
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -62.904
flat angles P-C4'-P energy: -43.757
tors. eta vs tors. theta energy: -75.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -942.243889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.243889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.243889 (E_RNA)
where:
Base-Base interactions energy: -648.489
where: short stacking energy: -283.307
Base-Backbone interact. energy: -0.510
local terms energy: -293.244403
where:
bonds (distance) C4'-P energy: -52.395
bonds (distance) P-C4' energy: -54.732
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -93.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -892.421821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.421821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.421821 (E_RNA)
where:
Base-Base interactions energy: -604.091
where: short stacking energy: -274.834
Base-Backbone interact. energy: -2.795
local terms energy: -285.536430
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -60.166
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -84.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -812.825643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.825643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.825643 (E_RNA)
where:
Base-Base interactions energy: -541.523
where: short stacking energy: -236.677
Base-Backbone interact. energy: -0.744
local terms energy: -270.559175
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -54.906
flat angles C4'-P-C4' energy: -64.640
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -69.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -771.183235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.183235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.183235 (E_RNA)
where:
Base-Base interactions energy: -512.166
where: short stacking energy: -238.658
Base-Backbone interact. energy: 0.113
local terms energy: -259.130111
where:
bonds (distance) C4'-P energy: -62.366
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -54.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -675.826708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.826708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.826708 (E_RNA)
where:
Base-Base interactions energy: -447.502
where: short stacking energy: -206.443
Base-Backbone interact. energy: 1.480
local terms energy: -229.805479
where:
bonds (distance) C4'-P energy: -42.738
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -26.430
tors. eta vs tors. theta energy: -60.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -472.954019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.954019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.954019 (E_RNA)
where:
Base-Base interactions energy: -275.603
where: short stacking energy: -141.247
Base-Backbone interact. energy: -0.079
local terms energy: -197.272278
where:
bonds (distance) C4'-P energy: -48.788
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -28.258
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -460.836271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.836271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.836271 (E_RNA)
where:
Base-Base interactions energy: -274.463
where: short stacking energy: -145.547
Base-Backbone interact. energy: -0.536
local terms energy: -185.836788
where:
bonds (distance) C4'-P energy: -39.617
bonds (distance) P-C4' energy: -48.156
flat angles C4'-P-C4' energy: -43.552
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -30.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -248.330475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.330475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.330475 (E_RNA)
where:
Base-Base interactions energy: -85.714
where: short stacking energy: -52.683
Base-Backbone interact. energy: -0.798
local terms energy: -161.818790
where:
bonds (distance) C4'-P energy: -51.838
bonds (distance) P-C4' energy: -44.693
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: 9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1003.772209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.772209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.772209 (E_RNA)
where:
Base-Base interactions energy: -674.141
where: short stacking energy: -303.835
Base-Backbone interact. energy: -0.382
local terms energy: -329.249823
where:
bonds (distance) C4'-P energy: -60.937
bonds (distance) P-C4' energy: -61.477
flat angles C4'-P-C4' energy: -68.240
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -93.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -920.093168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.093168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.093168 (E_RNA)
where:
Base-Base interactions energy: -633.898
where: short stacking energy: -282.263
Base-Backbone interact. energy: -1.892
local terms energy: -284.302654
where:
bonds (distance) C4'-P energy: -45.923
bonds (distance) P-C4' energy: -57.621
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -39.805
tors. eta vs tors. theta energy: -77.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -929.743033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.743033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.743033 (E_RNA)
where:
Base-Base interactions energy: -625.829
where: short stacking energy: -289.911
Base-Backbone interact. energy: -1.623
local terms energy: -302.290434
where:
bonds (distance) C4'-P energy: -55.033
bonds (distance) P-C4' energy: -52.059
flat angles C4'-P-C4' energy: -62.201
flat angles P-C4'-P energy: -42.032
tors. eta vs tors. theta energy: -90.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -898.074706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.074706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.074706 (E_RNA)
where:
Base-Base interactions energy: -602.322
where: short stacking energy: -269.145
Base-Backbone interact. energy: -0.941
local terms energy: -294.811638
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -57.545
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -80.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -799.914837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.914837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.914837 (E_RNA)
where:
Base-Base interactions energy: -548.830
where: short stacking energy: -237.798
Base-Backbone interact. energy: -1.073
local terms energy: -250.011935
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -54.623
flat angles C4'-P-C4' energy: -58.632
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -62.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -738.959264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.959264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.959264 (E_RNA)
where:
Base-Base interactions energy: -492.698
where: short stacking energy: -210.600
Base-Backbone interact. energy: -1.754
local terms energy: -244.507403
where:
bonds (distance) C4'-P energy: -57.664
bonds (distance) P-C4' energy: -47.114
flat angles C4'-P-C4' energy: -56.729
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: -50.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -675.864734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.864734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.864734 (E_RNA)
where:
Base-Base interactions energy: -442.851
where: short stacking energy: -209.975
Base-Backbone interact. energy: -0.435
local terms energy: -232.578347
where:
bonds (distance) C4'-P energy: -48.702
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -56.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -459.844401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.844401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.844401 (E_RNA)
where:
Base-Base interactions energy: -253.781
where: short stacking energy: -109.729
Base-Backbone interact. energy: -1.595
local terms energy: -204.468601
where:
bonds (distance) C4'-P energy: -47.164
bonds (distance) P-C4' energy: -51.947
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -435.225738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.225738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.225738 (E_RNA)
where:
Base-Base interactions energy: -273.242
where: short stacking energy: -128.345
Base-Backbone interact. energy: 1.879
local terms energy: -163.863583
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -239.999531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.999531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.999531 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.572
local terms energy: -156.936975
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -47.345
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: 5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -992.828875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.828875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.828875 (E_RNA)
where:
Base-Base interactions energy: -674.654
where: short stacking energy: -304.934
Base-Backbone interact. energy: -0.754
local terms energy: -317.420556
where:
bonds (distance) C4'-P energy: -62.255
bonds (distance) P-C4' energy: -54.910
flat angles C4'-P-C4' energy: -67.693
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -91.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -968.127911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.127911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.127911 (E_RNA)
where:
Base-Base interactions energy: -670.900
where: short stacking energy: -291.328
Base-Backbone interact. energy: 0.932
local terms energy: -298.160164
where:
bonds (distance) C4'-P energy: -49.104
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -62.913
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -96.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -932.696601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.696601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.696601 (E_RNA)
where:
Base-Base interactions energy: -635.788
where: short stacking energy: -259.735
Base-Backbone interact. energy: 0.267
local terms energy: -297.175865
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -57.734
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -78.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -903.535102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.535102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.535102 (E_RNA)
where:
Base-Base interactions energy: -622.010
where: short stacking energy: -271.898
Base-Backbone interact. energy: 1.489
local terms energy: -283.014481
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -56.271
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -80.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -834.816644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.816644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.816644 (E_RNA)
where:
Base-Base interactions energy: -573.509
where: short stacking energy: -244.597
Base-Backbone interact. energy: -1.224
local terms energy: -260.084261
where:
bonds (distance) C4'-P energy: -46.645
bonds (distance) P-C4' energy: -46.003
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -71.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -696.541504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.541504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.541504 (E_RNA)
where:
Base-Base interactions energy: -451.318
where: short stacking energy: -217.159
Base-Backbone interact. energy: -1.626
local terms energy: -243.597346
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -51.584
flat angles P-C4'-P energy: -40.055
tors. eta vs tors. theta energy: -52.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -606.851169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.851169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.851169 (E_RNA)
where:
Base-Base interactions energy: -384.965
where: short stacking energy: -177.341
Base-Backbone interact. energy: -0.604
local terms energy: -221.282309
where:
bonds (distance) C4'-P energy: -49.602
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -30.515
tors. eta vs tors. theta energy: -41.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -474.906027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.906027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.906027 (E_RNA)
where:
Base-Base interactions energy: -260.484
where: short stacking energy: -133.702
Base-Backbone interact. energy: -0.957
local terms energy: -213.465246
where:
bonds (distance) C4'-P energy: -55.639
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -424.096135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.096135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.096135 (E_RNA)
where:
Base-Base interactions energy: -241.962
where: short stacking energy: -131.408
Base-Backbone interact. energy: -0.934
local terms energy: -181.200455
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -41.069
flat angles C4'-P-C4' energy: -43.323
flat angles P-C4'-P energy: -36.044
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -250.288963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.288963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.288963 (E_RNA)
where:
Base-Base interactions energy: -109.689
where: short stacking energy: -83.749
Base-Backbone interact. energy: -0.649
local terms energy: -139.950679
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -39.644
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: 9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -994.849359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.849359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.849359 (E_RNA)
where:
Base-Base interactions energy: -668.715
where: short stacking energy: -292.628
Base-Backbone interact. energy: -0.460
local terms energy: -325.673638
where:
bonds (distance) C4'-P energy: -62.837
bonds (distance) P-C4' energy: -60.951
flat angles C4'-P-C4' energy: -64.020
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -94.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -983.491331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.491331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.491331 (E_RNA)
where:
Base-Base interactions energy: -672.085
where: short stacking energy: -291.595
Base-Backbone interact. energy: -0.460
local terms energy: -310.945458
where:
bonds (distance) C4'-P energy: -62.612
bonds (distance) P-C4' energy: -50.137
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -90.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -941.573266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.573266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.573266 (E_RNA)
where:
Base-Base interactions energy: -644.189
where: short stacking energy: -302.116
Base-Backbone interact. energy: 0.068
local terms energy: -297.451922
where:
bonds (distance) C4'-P energy: -58.654
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -63.176
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -88.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -881.713724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.713724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.713724 (E_RNA)
where:
Base-Base interactions energy: -608.181
where: short stacking energy: -272.505
Base-Backbone interact. energy: -0.710
local terms energy: -272.822853
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -58.320
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -80.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -804.043879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.043879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.043879 (E_RNA)
where:
Base-Base interactions energy: -547.417
where: short stacking energy: -243.155
Base-Backbone interact. energy: 0.302
local terms energy: -256.928891
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -62.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -638.188865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.188865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.188865 (E_RNA)
where:
Base-Base interactions energy: -416.888
where: short stacking energy: -198.862
Base-Backbone interact. energy: -1.576
local terms energy: -219.725375
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -45.870
flat angles C4'-P-C4' energy: -54.472
flat angles P-C4'-P energy: -27.804
tors. eta vs tors. theta energy: -38.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -659.804580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.804580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.804580 (E_RNA)
where:
Base-Base interactions energy: -419.626
where: short stacking energy: -208.786
Base-Backbone interact. energy: -0.390
local terms energy: -239.788819
where:
bonds (distance) C4'-P energy: -39.796
bonds (distance) P-C4' energy: -51.710
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: -59.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -451.142648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.142648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.142648 (E_RNA)
where:
Base-Base interactions energy: -253.256
where: short stacking energy: -133.167
Base-Backbone interact. energy: 0.339
local terms energy: -198.225058
where:
bonds (distance) C4'-P energy: -38.817
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -46.546
flat angles P-C4'-P energy: -34.528
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -470.756382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.756382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.756382 (E_RNA)
where:
Base-Base interactions energy: -288.715
where: short stacking energy: -121.546
Base-Backbone interact. energy: 0.478
local terms energy: -182.518970
where:
bonds (distance) C4'-P energy: -35.932
bonds (distance) P-C4' energy: -45.937
flat angles C4'-P-C4' energy: -46.390
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -20.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -287.753128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.753128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.753128 (E_RNA)
where:
Base-Base interactions energy: -100.202
where: short stacking energy: -91.021
Base-Backbone interact. energy: -1.454
local terms energy: -186.097020
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -40.061
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -993.814761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.814761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.814761 (E_RNA)
where:
Base-Base interactions energy: -679.305
where: short stacking energy: -311.773
Base-Backbone interact. energy: -0.457
local terms energy: -314.053081
where:
bonds (distance) C4'-P energy: -52.984
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -64.351
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: -97.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1008.891549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.891549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.891549 (E_RNA)
where:
Base-Base interactions energy: -691.715
where: short stacking energy: -300.355
Base-Backbone interact. energy: -0.603
local terms energy: -316.573247
where:
bonds (distance) C4'-P energy: -52.880
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -63.057
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -94.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -929.679972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.679972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.679972 (E_RNA)
where:
Base-Base interactions energy: -630.857
where: short stacking energy: -279.338
Base-Backbone interact. energy: -1.007
local terms energy: -297.815380
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -44.246
flat angles C4'-P-C4' energy: -71.902
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -77.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -894.973405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.973405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.973405 (E_RNA)
where:
Base-Base interactions energy: -613.469
where: short stacking energy: -280.281
Base-Backbone interact. energy: -0.889
local terms energy: -280.614798
where:
bonds (distance) C4'-P energy: -55.967
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -41.494
tors. eta vs tors. theta energy: -75.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -813.969280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.969280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.969280 (E_RNA)
where:
Base-Base interactions energy: -551.917
where: short stacking energy: -230.551
Base-Backbone interact. energy: -0.969
local terms energy: -261.083387
where:
bonds (distance) C4'-P energy: -49.299
bonds (distance) P-C4' energy: -47.032
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -34.489
tors. eta vs tors. theta energy: -70.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -633.556878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.556878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.556878 (E_RNA)
where:
Base-Base interactions energy: -390.461
where: short stacking energy: -182.966
Base-Backbone interact. energy: -1.499
local terms energy: -241.596666
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -52.673
flat angles P-C4'-P energy: -32.706
tors. eta vs tors. theta energy: -52.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -662.911560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.911560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.911560 (E_RNA)
where:
Base-Base interactions energy: -434.748
where: short stacking energy: -210.193
Base-Backbone interact. energy: -2.373
local terms energy: -225.790013
where:
bonds (distance) C4'-P energy: -47.654
bonds (distance) P-C4' energy: -43.920
flat angles C4'-P-C4' energy: -57.107
flat angles P-C4'-P energy: -35.682
tors. eta vs tors. theta energy: -41.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -490.835594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.835594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.835594 (E_RNA)
where:
Base-Base interactions energy: -279.450
where: short stacking energy: -130.320
Base-Backbone interact. energy: -0.859
local terms energy: -210.527251
where:
bonds (distance) C4'-P energy: -48.353
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -52.592
flat angles P-C4'-P energy: -37.066
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -402.486281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.486281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.486281 (E_RNA)
where:
Base-Base interactions energy: -236.660
where: short stacking energy: -119.347
Base-Backbone interact. energy: -0.367
local terms energy: -165.460139
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -42.134
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -234.636233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.636233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.636233 (E_RNA)
where:
Base-Base interactions energy: -85.635
where: short stacking energy: -45.322
Base-Backbone interact. energy: -0.135
local terms energy: -148.865753
where:
bonds (distance) C4'-P energy: -47.294
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: 9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -990.116127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.116127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.116127 (E_RNA)
where:
Base-Base interactions energy: -687.654
where: short stacking energy: -305.456
Base-Backbone interact. energy: -0.324
local terms energy: -302.137675
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -54.450
flat angles C4'-P-C4' energy: -65.870
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -93.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -984.807068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.807068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.807068 (E_RNA)
where:
Base-Base interactions energy: -675.887
where: short stacking energy: -302.693
Base-Backbone interact. energy: -0.164
local terms energy: -308.755761
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -66.638
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -93.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -928.945457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.945457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.945457 (E_RNA)
where:
Base-Base interactions energy: -643.135
where: short stacking energy: -277.168
Base-Backbone interact. energy: 1.395
local terms energy: -287.205809
where:
bonds (distance) C4'-P energy: -50.825
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -64.614
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -79.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -898.595527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.595527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.595527 (E_RNA)
where:
Base-Base interactions energy: -602.314
where: short stacking energy: -267.845
Base-Backbone interact. energy: -0.663
local terms energy: -295.618526
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -58.292
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -80.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -822.722614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.722614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.722614 (E_RNA)
where:
Base-Base interactions energy: -558.925
where: short stacking energy: -242.846
Base-Backbone interact. energy: -1.329
local terms energy: -262.467870
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -68.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -647.709259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.709259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.709259 (E_RNA)
where:
Base-Base interactions energy: -400.767
where: short stacking energy: -209.926
Base-Backbone interact. energy: 3.197
local terms energy: -250.138979
where:
bonds (distance) C4'-P energy: -48.619
bonds (distance) P-C4' energy: -50.803
flat angles C4'-P-C4' energy: -55.946
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -55.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -645.437471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.437471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.437471 (E_RNA)
where:
Base-Base interactions energy: -421.519
where: short stacking energy: -202.435
Base-Backbone interact. energy: 0.339
local terms energy: -224.256696
where:
bonds (distance) C4'-P energy: -52.349
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -41.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -517.104392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.104392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.104392 (E_RNA)
where:
Base-Base interactions energy: -327.018
where: short stacking energy: -156.447
Base-Backbone interact. energy: -1.896
local terms energy: -188.189897
where:
bonds (distance) C4'-P energy: -34.508
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -27.844
tors. eta vs tors. theta energy: -39.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -383.248986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.248986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.248986 (E_RNA)
where:
Base-Base interactions energy: -199.611
where: short stacking energy: -119.261
Base-Backbone interact. energy: -0.749
local terms energy: -182.888864
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -38.147
flat angles C4'-P-C4' energy: -52.077
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -262.167156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.167156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.167156 (E_RNA)
where:
Base-Base interactions energy: -95.895
where: short stacking energy: -80.722
Base-Backbone interact. energy: -0.452
local terms energy: -165.819931
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -47.524
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -28.676
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1015.963202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.963202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.963202 (E_RNA)
where:
Base-Base interactions energy: -687.410
where: short stacking energy: -301.385
Base-Backbone interact. energy: 0.168
local terms energy: -328.721553
where:
bonds (distance) C4'-P energy: -61.556
bonds (distance) P-C4' energy: -56.733
flat angles C4'-P-C4' energy: -69.167
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -95.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1009.320140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.320140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.320140 (E_RNA)
where:
Base-Base interactions energy: -684.728
where: short stacking energy: -311.775
Base-Backbone interact. energy: -0.289
local terms energy: -324.303189
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -57.544
flat angles C4'-P-C4' energy: -70.146
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -101.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -897.942620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.942620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.942620 (E_RNA)
where:
Base-Base interactions energy: -613.303
where: short stacking energy: -274.123
Base-Backbone interact. energy: -0.970
local terms energy: -283.669474
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -57.862
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -80.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -914.132558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.132558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.132558 (E_RNA)
where:
Base-Base interactions energy: -645.526
where: short stacking energy: -261.714
Base-Backbone interact. energy: -2.075
local terms energy: -266.532182
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -56.750
flat angles P-C4'-P energy: -32.859
tors. eta vs tors. theta energy: -76.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -808.738840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.738840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.738840 (E_RNA)
where:
Base-Base interactions energy: -553.055
where: short stacking energy: -249.519
Base-Backbone interact. energy: -0.721
local terms energy: -254.962691
where:
bonds (distance) C4'-P energy: -49.797
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: -66.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -652.678096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.678096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.678096 (E_RNA)
where:
Base-Base interactions energy: -405.208
where: short stacking energy: -212.821
Base-Backbone interact. energy: -0.421
local terms energy: -247.048810
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -44.323
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -59.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -651.680551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.680551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.680551 (E_RNA)
where:
Base-Base interactions energy: -432.250
where: short stacking energy: -185.026
Base-Backbone interact. energy: 0.594
local terms energy: -220.024262
where:
bonds (distance) C4'-P energy: -47.544
bonds (distance) P-C4' energy: -51.974
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -47.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -478.878552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.878552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.878552 (E_RNA)
where:
Base-Base interactions energy: -285.782
where: short stacking energy: -123.639
Base-Backbone interact. energy: 1.737
local terms energy: -194.833980
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -52.761
flat angles C4'-P-C4' energy: -44.374
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -436.162516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.162516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.162516 (E_RNA)
where:
Base-Base interactions energy: -251.925
where: short stacking energy: -123.558
Base-Backbone interact. energy: -0.694
local terms energy: -183.544229
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -47.286
flat angles C4'-P-C4' energy: -46.695
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -251.711097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.711097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.711097 (E_RNA)
where:
Base-Base interactions energy: -95.378
where: short stacking energy: -78.054
Base-Backbone interact. energy: 1.942
local terms energy: -158.274704
where:
bonds (distance) C4'-P energy: -48.871
bonds (distance) P-C4' energy: -48.503
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: 11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1006.057726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.057726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.057726 (E_RNA)
where:
Base-Base interactions energy: -686.537
where: short stacking energy: -312.727
Base-Backbone interact. energy: -0.721
local terms energy: -318.800087
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -93.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -983.943747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.943747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.943747 (E_RNA)
where:
Base-Base interactions energy: -663.041
where: short stacking energy: -305.601
Base-Backbone interact. energy: 0.065
local terms energy: -320.967718
where:
bonds (distance) C4'-P energy: -57.859
bonds (distance) P-C4' energy: -57.111
flat angles C4'-P-C4' energy: -62.952
flat angles P-C4'-P energy: -46.588
tors. eta vs tors. theta energy: -96.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -946.420615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.420615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.420615 (E_RNA)
where:
Base-Base interactions energy: -656.807
where: short stacking energy: -288.460
Base-Backbone interact. energy: -2.217
local terms energy: -287.396721
where:
bonds (distance) C4'-P energy: -51.870
bonds (distance) P-C4' energy: -59.265
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -35.654
tors. eta vs tors. theta energy: -87.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -899.337641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.337641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.337641 (E_RNA)
where:
Base-Base interactions energy: -623.358
where: short stacking energy: -267.273
Base-Backbone interact. energy: 0.742
local terms energy: -276.721664
where:
bonds (distance) C4'-P energy: -41.798
bonds (distance) P-C4' energy: -50.662
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -46.539
tors. eta vs tors. theta energy: -79.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -812.135026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.135026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.135026 (E_RNA)
where:
Base-Base interactions energy: -565.308
where: short stacking energy: -241.735
Base-Backbone interact. energy: -1.657
local terms energy: -245.169726
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -43.232
flat angles C4'-P-C4' energy: -50.968
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: -62.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -638.063968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.063968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.063968 (E_RNA)
where:
Base-Base interactions energy: -408.440
where: short stacking energy: -196.643
Base-Backbone interact. energy: -0.738
local terms energy: -228.885784
where:
bonds (distance) C4'-P energy: -48.048
bonds (distance) P-C4' energy: -53.003
flat angles C4'-P-C4' energy: -49.026
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -42.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -622.882949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.882949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.882949 (E_RNA)
where:
Base-Base interactions energy: -415.941
where: short stacking energy: -184.113
Base-Backbone interact. energy: -3.261
local terms energy: -203.680669
where:
bonds (distance) C4'-P energy: -45.959
bonds (distance) P-C4' energy: -36.436
flat angles C4'-P-C4' energy: -48.568
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -38.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -468.404745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.404745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.404745 (E_RNA)
where:
Base-Base interactions energy: -274.589
where: short stacking energy: -147.382
Base-Backbone interact. energy: -1.251
local terms energy: -192.564941
where:
bonds (distance) C4'-P energy: -46.906
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -29.585
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -424.466989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.466989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.466989 (E_RNA)
where:
Base-Base interactions energy: -254.188
where: short stacking energy: -119.101
Base-Backbone interact. energy: -0.027
local terms energy: -170.251907
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -27.719
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -252.567550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.567550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.567550 (E_RNA)
where:
Base-Base interactions energy: -110.347
where: short stacking energy: -78.642
Base-Backbone interact. energy: 0.228
local terms energy: -142.448223
where:
bonds (distance) C4'-P energy: -38.868
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: 6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1009.794106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.794106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.794106 (E_RNA)
where:
Base-Base interactions energy: -687.875
where: short stacking energy: -289.511
Base-Backbone interact. energy: -0.343
local terms energy: -321.575504
where:
bonds (distance) C4'-P energy: -51.330
bonds (distance) P-C4' energy: -67.769
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -46.474
tors. eta vs tors. theta energy: -89.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -956.784576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.784576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.784576 (E_RNA)
where:
Base-Base interactions energy: -650.200
where: short stacking energy: -288.590
Base-Backbone interact. energy: -2.270
local terms energy: -304.315006
where:
bonds (distance) C4'-P energy: -57.782
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -89.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -944.646178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.646178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.646178 (E_RNA)
where:
Base-Base interactions energy: -635.849
where: short stacking energy: -284.951
Base-Backbone interact. energy: -0.782
local terms energy: -308.015640
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -57.589
flat angles C4'-P-C4' energy: -62.001
flat angles P-C4'-P energy: -44.550
tors. eta vs tors. theta energy: -92.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -872.140263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.140263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.140263 (E_RNA)
where:
Base-Base interactions energy: -589.680
where: short stacking energy: -262.027
Base-Backbone interact. energy: -0.439
local terms energy: -282.021470
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -67.123
flat angles P-C4'-P energy: -47.135
tors. eta vs tors. theta energy: -68.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -787.525536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.525536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.525536 (E_RNA)
where:
Base-Base interactions energy: -527.993
where: short stacking energy: -229.178
Base-Backbone interact. energy: -2.515
local terms energy: -257.017495
where:
bonds (distance) C4'-P energy: -67.501
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -44.017
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -61.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -650.358696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.358696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.358696 (E_RNA)
where:
Base-Base interactions energy: -423.391
where: short stacking energy: -206.340
Base-Backbone interact. energy: -1.084
local terms energy: -225.882992
where:
bonds (distance) C4'-P energy: -37.529
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -646.414218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.414218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.414218 (E_RNA)
where:
Base-Base interactions energy: -431.825
where: short stacking energy: -201.267
Base-Backbone interact. energy: 0.565
local terms energy: -215.154804
where:
bonds (distance) C4'-P energy: -37.529
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -35.741
tors. eta vs tors. theta energy: -49.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -476.923800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.923800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.923800 (E_RNA)
where:
Base-Base interactions energy: -267.745
where: short stacking energy: -145.732
Base-Backbone interact. energy: 0.411
local terms energy: -209.589643
where:
bonds (distance) C4'-P energy: -46.043
bonds (distance) P-C4' energy: -60.113
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -398.994456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.994456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.994456 (E_RNA)
where:
Base-Base interactions energy: -222.341
where: short stacking energy: -121.601
Base-Backbone interact. energy: 0.772
local terms energy: -177.425982
where:
bonds (distance) C4'-P energy: -44.241
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -51.363
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -232.754188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.754188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.754188 (E_RNA)
where:
Base-Base interactions energy: -77.845
where: short stacking energy: -65.332
Base-Backbone interact. energy: -1.525
local terms energy: -153.384187
where:
bonds (distance) C4'-P energy: -46.631
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: 12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -970.335142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.335142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.335142 (E_RNA)
where:
Base-Base interactions energy: -662.942
where: short stacking energy: -302.184
Base-Backbone interact. energy: -1.199
local terms energy: -306.194435
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -54.732
flat angles C4'-P-C4' energy: -63.242
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -85.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1003.538403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.538403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.538403 (E_RNA)
where:
Base-Base interactions energy: -690.269
where: short stacking energy: -306.652
Base-Backbone interact. energy: -0.734
local terms energy: -312.534696
where:
bonds (distance) C4'-P energy: -57.235
bonds (distance) P-C4' energy: -48.596
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -95.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -938.135399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.135399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.135399 (E_RNA)
where:
Base-Base interactions energy: -625.955
where: short stacking energy: -289.060
Base-Backbone interact. energy: -0.963
local terms energy: -311.217584
where:
bonds (distance) C4'-P energy: -55.756
bonds (distance) P-C4' energy: -61.906
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -42.513
tors. eta vs tors. theta energy: -90.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -890.677622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.677622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.677622 (E_RNA)
where:
Base-Base interactions energy: -629.946
where: short stacking energy: -262.419
Base-Backbone interact. energy: -1.466
local terms energy: -259.265697
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -50.908
flat angles C4'-P-C4' energy: -50.985
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -67.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -829.003023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.003023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.003023 (E_RNA)
where:
Base-Base interactions energy: -568.887
where: short stacking energy: -256.541
Base-Backbone interact. energy: -0.953
local terms energy: -259.162682
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -46.971
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -81.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -663.375195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.375195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.375195 (E_RNA)
where:
Base-Base interactions energy: -437.436
where: short stacking energy: -204.472
Base-Backbone interact. energy: -0.113
local terms energy: -225.826064
where:
bonds (distance) C4'-P energy: -42.942
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -50.416
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -39.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -715.845059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.845059 (E_RNA)
where:
Base-Base interactions energy: -478.282
where: short stacking energy: -211.429
Base-Backbone interact. energy: -0.334
local terms energy: -237.228597
where:
bonds (distance) C4'-P energy: -42.006
bonds (distance) P-C4' energy: -53.328
flat angles C4'-P-C4' energy: -51.077
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -54.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -474.877923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.877923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.877923 (E_RNA)
where:
Base-Base interactions energy: -284.840
where: short stacking energy: -155.550
Base-Backbone interact. energy: -0.364
local terms energy: -189.674083
where:
bonds (distance) C4'-P energy: -49.254
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -27.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -415.252176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.252176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.252176 (E_RNA)
where:
Base-Base interactions energy: -246.706
where: short stacking energy: -105.513
Base-Backbone interact. energy: -0.691
local terms energy: -167.855636
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -46.136
flat angles C4'-P-C4' energy: -43.358
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -264.419814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.419814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.419814 (E_RNA)
where:
Base-Base interactions energy: -100.272
where: short stacking energy: -75.806
Base-Backbone interact. energy: -0.974
local terms energy: -163.173696
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -55.978
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -977.828569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.828569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.828569 (E_RNA)
where:
Base-Base interactions energy: -676.947
where: short stacking energy: -289.222
Base-Backbone interact. energy: -1.503
local terms energy: -299.378637
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -62.992
flat angles P-C4'-P energy: -42.614
tors. eta vs tors. theta energy: -81.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -987.630692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.630692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.630692 (E_RNA)
where:
Base-Base interactions energy: -671.389
where: short stacking energy: -306.109
Base-Backbone interact. energy: -0.366
local terms energy: -315.875479
where:
bonds (distance) C4'-P energy: -57.920
bonds (distance) P-C4' energy: -54.186
flat angles C4'-P-C4' energy: -67.150
flat angles P-C4'-P energy: -40.844
tors. eta vs tors. theta energy: -95.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -956.778802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.778802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.778802 (E_RNA)
where:
Base-Base interactions energy: -665.299
where: short stacking energy: -303.963
Base-Backbone interact. energy: -0.106
local terms energy: -291.373461
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -57.304
flat angles C4'-P-C4' energy: -60.024
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -92.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -854.924231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.924231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.924231 (E_RNA)
where:
Base-Base interactions energy: -573.304
where: short stacking energy: -248.133
Base-Backbone interact. energy: -1.509
local terms energy: -280.111337
where:
bonds (distance) C4'-P energy: -46.162
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -62.566
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -73.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -869.765323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.765323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.765323 (E_RNA)
where:
Base-Base interactions energy: -584.991
where: short stacking energy: -252.095
Base-Backbone interact. energy: 0.613
local terms energy: -285.386588
where:
bonds (distance) C4'-P energy: -53.756
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -61.604
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -72.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -731.668811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.668811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.668811 (E_RNA)
where:
Base-Base interactions energy: -475.695
where: short stacking energy: -212.713
Base-Backbone interact. energy: -1.556
local terms energy: -254.417414
where:
bonds (distance) C4'-P energy: -47.614
bonds (distance) P-C4' energy: -50.262
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -39.776
tors. eta vs tors. theta energy: -63.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -635.448817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.448817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.448817 (E_RNA)
where:
Base-Base interactions energy: -411.751
where: short stacking energy: -185.659
Base-Backbone interact. energy: -1.514
local terms energy: -222.184272
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -54.200
flat angles C4'-P-C4' energy: -41.748
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -39.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -446.720941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.720941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.720941 (E_RNA)
where:
Base-Base interactions energy: -247.874
where: short stacking energy: -134.266
Base-Backbone interact. energy: -1.451
local terms energy: -197.395774
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -48.433
flat angles C4'-P-C4' energy: -50.884
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -27.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -408.875171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.875171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.875171 (E_RNA)
where:
Base-Base interactions energy: -229.287
where: short stacking energy: -127.930
Base-Backbone interact. energy: -1.585
local terms energy: -178.002487
where:
bonds (distance) C4'-P energy: -47.022
bonds (distance) P-C4' energy: -51.152
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -230.232651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.232651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.232651 (E_RNA)
where:
Base-Base interactions energy: -91.317
where: short stacking energy: -67.872
Base-Backbone interact. energy: 5.649
local terms energy: -144.564515
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -49.831
flat angles C4'-P-C4' energy: -44.220
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: 16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -994.888171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.888171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.888171 (E_RNA)
where:
Base-Base interactions energy: -674.361
where: short stacking energy: -292.832
Base-Backbone interact. energy: -0.654
local terms energy: -319.873809
where:
bonds (distance) C4'-P energy: -54.862
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -66.885
flat angles P-C4'-P energy: -47.432
tors. eta vs tors. theta energy: -91.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -956.245754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.245754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.245754 (E_RNA)
where:
Base-Base interactions energy: -663.741
where: short stacking energy: -289.373
Base-Backbone interact. energy: -0.815
local terms energy: -291.689542
where:
bonds (distance) C4'-P energy: -46.055
bonds (distance) P-C4' energy: -54.932
flat angles C4'-P-C4' energy: -57.613
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -89.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -953.358661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.358661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.358661 (E_RNA)
where:
Base-Base interactions energy: -640.392
where: short stacking energy: -294.608
Base-Backbone interact. energy: -0.919
local terms energy: -312.047935
where:
bonds (distance) C4'-P energy: -56.739
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -65.566
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -96.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -839.713530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.713530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.713530 (E_RNA)
where:
Base-Base interactions energy: -582.731
where: short stacking energy: -259.391
Base-Backbone interact. energy: -1.634
local terms energy: -255.348871
where:
bonds (distance) C4'-P energy: -40.347
bonds (distance) P-C4' energy: -52.527
flat angles C4'-P-C4' energy: -58.357
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -71.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -854.017162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.017162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.017162 (E_RNA)
where:
Base-Base interactions energy: -595.422
where: short stacking energy: -253.707
Base-Backbone interact. energy: -1.352
local terms energy: -257.242826
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -47.736
flat angles C4'-P-C4' energy: -52.705
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -74.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -748.574724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.574724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.574724 (E_RNA)
where:
Base-Base interactions energy: -482.216
where: short stacking energy: -241.147
Base-Backbone interact. energy: 0.252
local terms energy: -266.610900
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -46.392
flat angles C4'-P-C4' energy: -63.327
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: -69.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -628.410137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.410137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.410137 (E_RNA)
where:
Base-Base interactions energy: -401.367
where: short stacking energy: -204.710
Base-Backbone interact. energy: 0.001
local terms energy: -227.044484
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -49.937
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -43.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -473.910189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.910189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.910189 (E_RNA)
where:
Base-Base interactions energy: -255.482
where: short stacking energy: -134.983
Base-Backbone interact. energy: -3.151
local terms energy: -215.277012
where:
bonds (distance) C4'-P energy: -58.373
bonds (distance) P-C4' energy: -59.594
flat angles C4'-P-C4' energy: -52.040
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -376.624320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.624320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.624320 (E_RNA)
where:
Base-Base interactions energy: -206.847
where: short stacking energy: -106.740
Base-Backbone interact. energy: -0.827
local terms energy: -168.950821
where:
bonds (distance) C4'-P energy: -34.980
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -36.686
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -253.684111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.684111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.684111 (E_RNA)
where:
Base-Base interactions energy: -83.464
where: short stacking energy: -74.475
Base-Backbone interact. energy: -2.092
local terms energy: -168.128683
where:
bonds (distance) C4'-P energy: -40.455
bonds (distance) P-C4' energy: -56.276
flat angles C4'-P-C4' energy: -49.472
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1009.865294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.865294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.865294 (E_RNA)
where:
Base-Base interactions energy: -684.708
where: short stacking energy: -299.094
Base-Backbone interact. energy: -0.460
local terms energy: -324.697871
where:
bonds (distance) C4'-P energy: -54.263
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -69.981
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -99.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -968.440826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.440826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.440826 (E_RNA)
where:
Base-Base interactions energy: -665.484
where: short stacking energy: -291.595
Base-Backbone interact. energy: -0.758
local terms energy: -302.198161
where:
bonds (distance) C4'-P energy: -51.408
bonds (distance) P-C4' energy: -48.648
flat angles C4'-P-C4' energy: -65.063
flat angles P-C4'-P energy: -43.653
tors. eta vs tors. theta energy: -93.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -955.257209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.257209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.257209 (E_RNA)
where:
Base-Base interactions energy: -653.349
where: short stacking energy: -288.006
Base-Backbone interact. energy: -0.846
local terms energy: -301.062064
where:
bonds (distance) C4'-P energy: -50.569
bonds (distance) P-C4' energy: -57.296
flat angles C4'-P-C4' energy: -63.578
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -87.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -909.165622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.165622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.165622 (E_RNA)
where:
Base-Base interactions energy: -620.894
where: short stacking energy: -266.093
Base-Backbone interact. energy: -1.473
local terms energy: -286.798032
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -55.600
flat angles C4'-P-C4' energy: -67.881
flat angles P-C4'-P energy: -39.678
tors. eta vs tors. theta energy: -78.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -812.433054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.433054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.433054 (E_RNA)
where:
Base-Base interactions energy: -541.605
where: short stacking energy: -238.838
Base-Backbone interact. energy: -1.500
local terms energy: -269.327972
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -42.363
flat angles C4'-P-C4' energy: -60.050
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: -68.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -731.549928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.549928 (E_RNA)
where:
Base-Base interactions energy: -458.044
where: short stacking energy: -217.785
Base-Backbone interact. energy: -0.303
local terms energy: -273.203098
where:
bonds (distance) C4'-P energy: -55.294
bonds (distance) P-C4' energy: -59.422
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -42.100
tors. eta vs tors. theta energy: -61.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -639.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.487865 (E_RNA)
where:
Base-Base interactions energy: -405.868
where: short stacking energy: -186.625
Base-Backbone interact. energy: 2.825
local terms energy: -236.444579
where:
bonds (distance) C4'-P energy: -48.922
bonds (distance) P-C4' energy: -55.261
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -41.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -437.394639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.394639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.394639 (E_RNA)
where:
Base-Base interactions energy: -257.582
where: short stacking energy: -115.176
Base-Backbone interact. energy: 2.016
local terms energy: -181.828607
where:
bonds (distance) C4'-P energy: -48.060
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -45.108
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -365.795127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.795127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.795127 (E_RNA)
where:
Base-Base interactions energy: -212.613
where: short stacking energy: -107.875
Base-Backbone interact. energy: -0.548
local terms energy: -152.633980
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -238.477644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.477644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.477644 (E_RNA)
where:
Base-Base interactions energy: -100.368
where: short stacking energy: -75.015
Base-Backbone interact. energy: 8.266
local terms energy: -146.375974
where:
bonds (distance) C4'-P energy: -53.910
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -47.401
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: 9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1013.402950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.402950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.402950 (E_RNA)
where:
Base-Base interactions energy: -685.890
where: short stacking energy: -310.529
Base-Backbone interact. energy: -0.174
local terms energy: -327.338895
where:
bonds (distance) C4'-P energy: -56.029
bonds (distance) P-C4' energy: -56.360
flat angles C4'-P-C4' energy: -69.514
flat angles P-C4'-P energy: -47.146
tors. eta vs tors. theta energy: -98.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -980.060607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.060607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.060607 (E_RNA)
where:
Base-Base interactions energy: -687.986
where: short stacking energy: -313.561
Base-Backbone interact. energy: -0.180
local terms energy: -291.894256
where:
bonds (distance) C4'-P energy: -48.771
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -58.224
flat angles P-C4'-P energy: -42.774
tors. eta vs tors. theta energy: -93.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -926.770088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.770088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.770088 (E_RNA)
where:
Base-Base interactions energy: -636.313
where: short stacking energy: -264.372
Base-Backbone interact. energy: -1.733
local terms energy: -288.724334
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -52.370
flat angles C4'-P-C4' energy: -59.192
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -75.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -919.107148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.107148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.107148 (E_RNA)
where:
Base-Base interactions energy: -628.115
where: short stacking energy: -281.048
Base-Backbone interact. energy: -1.433
local terms energy: -289.558889
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -53.198
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -85.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -847.325299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.325299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.325299 (E_RNA)
where:
Base-Base interactions energy: -575.118
where: short stacking energy: -255.547
Base-Backbone interact. energy: -1.948
local terms energy: -270.258810
where:
bonds (distance) C4'-P energy: -45.891
bonds (distance) P-C4' energy: -57.994
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -79.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -755.131227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.131227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.131227 (E_RNA)
where:
Base-Base interactions energy: -490.883
where: short stacking energy: -250.120
Base-Backbone interact. energy: -0.161
local terms energy: -264.086881
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -61.741
flat angles C4'-P-C4' energy: -52.999
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -68.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -641.644726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.644726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.644726 (E_RNA)
where:
Base-Base interactions energy: -411.360
where: short stacking energy: -184.611
Base-Backbone interact. energy: -0.540
local terms energy: -229.744595
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -45.924
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -51.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -476.039192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.039192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.039192 (E_RNA)
where:
Base-Base interactions energy: -297.985
where: short stacking energy: -128.665
Base-Backbone interact. energy: -1.307
local terms energy: -176.746696
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -52.211
flat angles C4'-P-C4' energy: -44.714
flat angles P-C4'-P energy: -28.146
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -370.110053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.110053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.110053 (E_RNA)
where:
Base-Base interactions energy: -188.040
where: short stacking energy: -91.419
Base-Backbone interact. energy: -1.973
local terms energy: -180.096748
where:
bonds (distance) C4'-P energy: -51.717
bonds (distance) P-C4' energy: -49.552
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: -9.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -261.448120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.448120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.448120 (E_RNA)
where:
Base-Base interactions energy: -96.409
where: short stacking energy: -77.477
Base-Backbone interact. energy: -1.238
local terms energy: -163.801492
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -41.254
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: 5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -994.442399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.442399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.442399 (E_RNA)
where:
Base-Base interactions energy: -688.983
where: short stacking energy: -303.150
Base-Backbone interact. energy: -1.249
local terms energy: -304.210788
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -48.986
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -42.430
tors. eta vs tors. theta energy: -96.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -965.793748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.793748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.793748 (E_RNA)
where:
Base-Base interactions energy: -657.096
where: short stacking energy: -298.183
Base-Backbone interact. energy: -0.836
local terms energy: -307.861022
where:
bonds (distance) C4'-P energy: -57.533
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -62.973
flat angles P-C4'-P energy: -47.376
tors. eta vs tors. theta energy: -91.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -895.320438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.320438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.320438 (E_RNA)
where:
Base-Base interactions energy: -606.097
where: short stacking energy: -277.245
Base-Backbone interact. energy: -0.272
local terms energy: -288.951708
where:
bonds (distance) C4'-P energy: -45.979
bonds (distance) P-C4' energy: -56.217
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -45.774
tors. eta vs tors. theta energy: -79.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -888.439724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.439724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.439724 (E_RNA)
where:
Base-Base interactions energy: -589.408
where: short stacking energy: -258.908
Base-Backbone interact. energy: -0.219
local terms energy: -298.813391
where:
bonds (distance) C4'-P energy: -51.760
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -80.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -881.317229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.317229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.317229 (E_RNA)
where:
Base-Base interactions energy: -581.864
where: short stacking energy: -258.952
Base-Backbone interact. energy: -1.714
local terms energy: -297.739027
where:
bonds (distance) C4'-P energy: -53.594
bonds (distance) P-C4' energy: -55.483
flat angles C4'-P-C4' energy: -61.531
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -85.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -727.369172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.369172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.369172 (E_RNA)
where:
Base-Base interactions energy: -469.662
where: short stacking energy: -226.332
Base-Backbone interact. energy: -1.240
local terms energy: -256.467901
where:
bonds (distance) C4'-P energy: -48.348
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -53.141
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -59.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -632.570861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.570861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.570861 (E_RNA)
where:
Base-Base interactions energy: -423.382
where: short stacking energy: -193.884
Base-Backbone interact. energy: -0.422
local terms energy: -208.767300
where:
bonds (distance) C4'-P energy: -36.356
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -51.280
flat angles P-C4'-P energy: -33.733
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -481.850068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.850068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.850068 (E_RNA)
where:
Base-Base interactions energy: -286.276
where: short stacking energy: -139.359
Base-Backbone interact. energy: 0.461
local terms energy: -196.035311
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -59.724
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -31.283
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -365.332685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.332685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.332685 (E_RNA)
where:
Base-Base interactions energy: -182.860
where: short stacking energy: -97.788
Base-Backbone interact. energy: -1.446
local terms energy: -181.026484
where:
bonds (distance) C4'-P energy: -50.649
bonds (distance) P-C4' energy: -58.546
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -276.445558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.445558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.445558 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -81.078
Base-Backbone interact. energy: -0.249
local terms energy: -158.181942
where:
bonds (distance) C4'-P energy: -54.181
bonds (distance) P-C4' energy: -44.103
flat angles C4'-P-C4' energy: -37.205
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1007.696798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.696798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.696798 (E_RNA)
where:
Base-Base interactions energy: -682.150
where: short stacking energy: -301.723
Base-Backbone interact. energy: 2.945
local terms energy: -328.491794
where:
bonds (distance) C4'-P energy: -57.611
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -65.142
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -96.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -960.979497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.979497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.979497 (E_RNA)
where:
Base-Base interactions energy: -660.344
where: short stacking energy: -313.289
Base-Backbone interact. energy: -1.024
local terms energy: -299.611303
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -58.466
flat angles C4'-P-C4' energy: -57.769
flat angles P-C4'-P energy: -48.674
tors. eta vs tors. theta energy: -94.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -906.572917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.572917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.572917 (E_RNA)
where:
Base-Base interactions energy: -607.917
where: short stacking energy: -290.384
Base-Backbone interact. energy: -0.543
local terms energy: -298.112739
where:
bonds (distance) C4'-P energy: -51.532
bonds (distance) P-C4' energy: -57.488
flat angles C4'-P-C4' energy: -64.790
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -86.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -853.927660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.927660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.927660 (E_RNA)
where:
Base-Base interactions energy: -575.443
where: short stacking energy: -262.005
Base-Backbone interact. energy: 2.678
local terms energy: -281.162488
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -55.113
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -78.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -871.363150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.363150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.363150 (E_RNA)
where:
Base-Base interactions energy: -591.687
where: short stacking energy: -274.554
Base-Backbone interact. energy: -0.741
local terms energy: -278.935321
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -58.292
flat angles P-C4'-P energy: -42.828
tors. eta vs tors. theta energy: -79.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -729.449450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.449450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.449450 (E_RNA)
where:
Base-Base interactions energy: -481.684
where: short stacking energy: -215.342
Base-Backbone interact. energy: 1.669
local terms energy: -249.433992
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -59.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -640.652726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.652726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.652726 (E_RNA)
where:
Base-Base interactions energy: -398.826
where: short stacking energy: -180.579
Base-Backbone interact. energy: 0.407
local terms energy: -242.233227
where:
bonds (distance) C4'-P energy: -46.373
bonds (distance) P-C4' energy: -48.649
flat angles C4'-P-C4' energy: -58.221
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -51.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -510.299081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.299081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.299081 (E_RNA)
where:
Base-Base interactions energy: -308.004
where: short stacking energy: -144.869
Base-Backbone interact. energy: 3.256
local terms energy: -205.551604
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -27.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -390.237306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.237306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.237306 (E_RNA)
where:
Base-Base interactions energy: -205.996
where: short stacking energy: -135.465
Base-Backbone interact. energy: -1.250
local terms energy: -182.991016
where:
bonds (distance) C4'-P energy: -44.120
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -45.933
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -293.838807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.838807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.838807 (E_RNA)
where:
Base-Base interactions energy: -145.118
where: short stacking energy: -87.814
Base-Backbone interact. energy: -1.529
local terms energy: -147.192649
where:
bonds (distance) C4'-P energy: -41.460
bonds (distance) P-C4' energy: -43.957
flat angles C4'-P-C4' energy: -26.626
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -998.739972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.739972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.739972 (E_RNA)
where:
Base-Base interactions energy: -687.645
where: short stacking energy: -302.802
Base-Backbone interact. energy: -0.817
local terms energy: -310.278415
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -58.018
flat angles C4'-P-C4' energy: -65.481
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -94.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -964.754721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.754721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.754721 (E_RNA)
where:
Base-Base interactions energy: -650.192
where: short stacking energy: -294.187
Base-Backbone interact. energy: -2.616
local terms energy: -311.946541
where:
bonds (distance) C4'-P energy: -60.839
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -62.853
flat angles P-C4'-P energy: -43.443
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -905.629401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.629401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.629401 (E_RNA)
where:
Base-Base interactions energy: -616.186
where: short stacking energy: -271.656
Base-Backbone interact. energy: -2.146
local terms energy: -287.296765
where:
bonds (distance) C4'-P energy: -43.971
bonds (distance) P-C4' energy: -57.505
flat angles C4'-P-C4' energy: -63.359
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -78.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -892.117148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.117148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.117148 (E_RNA)
where:
Base-Base interactions energy: -623.437
where: short stacking energy: -274.258
Base-Backbone interact. energy: -0.576
local terms energy: -268.104039
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -46.352
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -43.797
tors. eta vs tors. theta energy: -75.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -851.990706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.990706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.990706 (E_RNA)
where:
Base-Base interactions energy: -573.924
where: short stacking energy: -251.293
Base-Backbone interact. energy: -2.581
local terms energy: -275.485468
where:
bonds (distance) C4'-P energy: -48.410
bonds (distance) P-C4' energy: -50.246
flat angles C4'-P-C4' energy: -60.286
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: -77.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -690.592211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.592211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.592211 (E_RNA)
where:
Base-Base interactions energy: -448.641
where: short stacking energy: -214.071
Base-Backbone interact. energy: -1.592
local terms energy: -240.358556
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -45.273
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -58.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -653.237604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.237604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.237604 (E_RNA)
where:
Base-Base interactions energy: -400.075
where: short stacking energy: -199.200
Base-Backbone interact. energy: -0.725
local terms energy: -252.437093
where:
bonds (distance) C4'-P energy: -56.904
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -55.774
flat angles P-C4'-P energy: -26.391
tors. eta vs tors. theta energy: -55.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -559.331140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.331140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.331140 (E_RNA)
where:
Base-Base interactions energy: -338.924
where: short stacking energy: -181.677
Base-Backbone interact. energy: -0.434
local terms energy: -219.973021
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -50.045
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -38.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -364.320571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.320571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.320571 (E_RNA)
where:
Base-Base interactions energy: -195.597
where: short stacking energy: -92.887
Base-Backbone interact. energy: 2.700
local terms energy: -171.423185
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -55.962
flat angles C4'-P-C4' energy: -47.012
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -289.862783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.862783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.862783 (E_RNA)
where:
Base-Base interactions energy: -116.765
where: short stacking energy: -68.092
Base-Backbone interact. energy: 0.392
local terms energy: -173.489665
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -61.892
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1002.682762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.682762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.682762 (E_RNA)
where:
Base-Base interactions energy: -682.898
where: short stacking energy: -302.544
Base-Backbone interact. energy: -1.555
local terms energy: -318.229764
where:
bonds (distance) C4'-P energy: -57.828
bonds (distance) P-C4' energy: -57.862
flat angles C4'-P-C4' energy: -59.281
flat angles P-C4'-P energy: -46.905
tors. eta vs tors. theta energy: -96.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -976.174206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.174206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.174206 (E_RNA)
where:
Base-Base interactions energy: -659.361
where: short stacking energy: -299.148
Base-Backbone interact. energy: -0.739
local terms energy: -316.073717
where:
bonds (distance) C4'-P energy: -59.339
bonds (distance) P-C4' energy: -60.059
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -95.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -932.492781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.492781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.492781 (E_RNA)
where:
Base-Base interactions energy: -637.909
where: short stacking energy: -298.976
Base-Backbone interact. energy: -1.058
local terms energy: -293.526045
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -53.224
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -47.675
tors. eta vs tors. theta energy: -87.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -903.348237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.348237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.348237 (E_RNA)
where:
Base-Base interactions energy: -621.140
where: short stacking energy: -262.629
Base-Backbone interact. energy: -0.544
local terms energy: -281.664398
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -58.039
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -81.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -868.554108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.554108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.554108 (E_RNA)
where:
Base-Base interactions energy: -578.578
where: short stacking energy: -269.202
Base-Backbone interact. energy: -0.161
local terms energy: -289.815342
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -59.465
flat angles C4'-P-C4' energy: -62.834
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -78.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -723.646392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.646392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.646392 (E_RNA)
where:
Base-Base interactions energy: -473.929
where: short stacking energy: -212.708
Base-Backbone interact. energy: 1.250
local terms energy: -250.967495
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -48.276
flat angles C4'-P-C4' energy: -56.207
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -61.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -659.187489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.187489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.187489 (E_RNA)
where:
Base-Base interactions energy: -429.129
where: short stacking energy: -192.948
Base-Backbone interact. energy: 1.677
local terms energy: -231.734972
where:
bonds (distance) C4'-P energy: -36.421
bonds (distance) P-C4' energy: -54.763
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -60.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -485.715680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.715680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.715680 (E_RNA)
where:
Base-Base interactions energy: -298.855
where: short stacking energy: -130.999
Base-Backbone interact. energy: 2.051
local terms energy: -188.911476
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -45.519
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -435.396426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.396426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.396426 (E_RNA)
where:
Base-Base interactions energy: -244.435
where: short stacking energy: -120.791
Base-Backbone interact. energy: -0.285
local terms energy: -190.676590
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -56.002
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -340.157125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.157125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.157125 (E_RNA)
where:
Base-Base interactions energy: -192.303
where: short stacking energy: -104.969
Base-Backbone interact. energy: 3.850
local terms energy: -151.704071
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1003.330732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.330732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.330732 (E_RNA)
where:
Base-Base interactions energy: -686.054
where: short stacking energy: -306.983
Base-Backbone interact. energy: 0.190
local terms energy: -317.466799
where:
bonds (distance) C4'-P energy: -58.078
bonds (distance) P-C4' energy: -54.351
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -90.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -970.215957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.215957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.215957 (E_RNA)
where:
Base-Base interactions energy: -663.508
where: short stacking energy: -284.029
Base-Backbone interact. energy: -0.305
local terms energy: -306.402946
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -62.810
flat angles C4'-P-C4' energy: -63.148
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -85.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -948.989740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.989740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.989740 (E_RNA)
where:
Base-Base interactions energy: -652.843
where: short stacking energy: -282.538
Base-Backbone interact. energy: -1.478
local terms energy: -294.668298
where:
bonds (distance) C4'-P energy: -46.410
bonds (distance) P-C4' energy: -53.705
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -89.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -872.155382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.155382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.155382 (E_RNA)
where:
Base-Base interactions energy: -585.364
where: short stacking energy: -255.602
Base-Backbone interact. energy: 1.609
local terms energy: -288.401109
where:
bonds (distance) C4'-P energy: -59.152
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -66.066
flat angles P-C4'-P energy: -39.647
tors. eta vs tors. theta energy: -67.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -850.771254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.771254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.771254 (E_RNA)
where:
Base-Base interactions energy: -569.105
where: short stacking energy: -256.513
Base-Backbone interact. energy: 0.058
local terms energy: -281.724038
where:
bonds (distance) C4'-P energy: -52.758
bonds (distance) P-C4' energy: -58.689
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -75.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -748.247985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.247985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.247985 (E_RNA)
where:
Base-Base interactions energy: -501.270
where: short stacking energy: -228.393
Base-Backbone interact. energy: -0.161
local terms energy: -246.816945
where:
bonds (distance) C4'-P energy: -41.731
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -50.071
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -62.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -669.864585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.864585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.864585 (E_RNA)
where:
Base-Base interactions energy: -433.967
where: short stacking energy: -196.856
Base-Backbone interact. energy: 2.423
local terms energy: -238.320680
where:
bonds (distance) C4'-P energy: -49.094
bonds (distance) P-C4' energy: -50.594
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -53.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -489.287768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.287768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.287768 (E_RNA)
where:
Base-Base interactions energy: -297.488
where: short stacking energy: -131.540
Base-Backbone interact. energy: -1.628
local terms energy: -190.172409
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -44.947
flat angles P-C4'-P energy: -33.862
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -419.660611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.660611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.660611 (E_RNA)
where:
Base-Base interactions energy: -264.532
where: short stacking energy: -118.577
Base-Backbone interact. energy: -0.463
local terms energy: -154.665657
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -39.204
flat angles C4'-P-C4' energy: -49.834
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -362.026820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.026820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.026820 (E_RNA)
where:
Base-Base interactions energy: -194.391
where: short stacking energy: -112.266
Base-Backbone interact. energy: -0.047
local terms energy: -167.589521
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -53.241
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -978.516084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.516084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.516084 (E_RNA)
where:
Base-Base interactions energy: -673.806
where: short stacking energy: -297.398
Base-Backbone interact. energy: -0.196
local terms energy: -304.514554
where:
bonds (distance) C4'-P energy: -55.193
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -87.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -977.149572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.149572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.149572 (E_RNA)
where:
Base-Base interactions energy: -687.389
where: short stacking energy: -300.891
Base-Backbone interact. energy: -0.693
local terms energy: -289.067707
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -85.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -958.654336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.654336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.654336 (E_RNA)
where:
Base-Base interactions energy: -665.794
where: short stacking energy: -289.645
Base-Backbone interact. energy: -0.108
local terms energy: -292.752997
where:
bonds (distance) C4'-P energy: -46.478
bonds (distance) P-C4' energy: -53.278
flat angles C4'-P-C4' energy: -61.163
flat angles P-C4'-P energy: -37.397
tors. eta vs tors. theta energy: -94.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -846.278047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.278047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.278047 (E_RNA)
where:
Base-Base interactions energy: -570.580
where: short stacking energy: -263.635
Base-Backbone interact. energy: -1.762
local terms energy: -273.936458
where:
bonds (distance) C4'-P energy: -52.637
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -60.330
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -73.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -820.468301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.468301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.468301 (E_RNA)
where:
Base-Base interactions energy: -551.779
where: short stacking energy: -240.057
Base-Backbone interact. energy: -0.668
local terms energy: -268.021885
where:
bonds (distance) C4'-P energy: -45.608
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -38.921
tors. eta vs tors. theta energy: -72.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -751.494236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.494236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.494236 (E_RNA)
where:
Base-Base interactions energy: -494.165
where: short stacking energy: -226.633
Base-Backbone interact. energy: -1.351
local terms energy: -255.978736
where:
bonds (distance) C4'-P energy: -52.412
bonds (distance) P-C4' energy: -47.627
flat angles C4'-P-C4' energy: -53.021
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -61.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -683.237690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.237690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.237690 (E_RNA)
where:
Base-Base interactions energy: -441.081
where: short stacking energy: -199.170
Base-Backbone interact. energy: -0.822
local terms energy: -241.334729
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -53.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -474.096170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.096170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.096170 (E_RNA)
where:
Base-Base interactions energy: -299.563
where: short stacking energy: -141.672
Base-Backbone interact. energy: 2.476
local terms energy: -177.008824
where:
bonds (distance) C4'-P energy: -51.218
bonds (distance) P-C4' energy: -51.117
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -374.364107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.364107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.364107 (E_RNA)
where:
Base-Base interactions energy: -195.389
where: short stacking energy: -114.982
Base-Backbone interact. energy: 0.051
local terms energy: -179.025683
where:
bonds (distance) C4'-P energy: -53.356
bonds (distance) P-C4' energy: -44.419
flat angles C4'-P-C4' energy: -49.961
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -328.471056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.471056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.471056 (E_RNA)
where:
Base-Base interactions energy: -182.592
where: short stacking energy: -83.385
Base-Backbone interact. energy: 2.207
local terms energy: -148.085481
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -48.721
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -997.371181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.371181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.371181 (E_RNA)
where:
Base-Base interactions energy: -687.960
where: short stacking energy: -291.695
Base-Backbone interact. energy: -0.440
local terms energy: -308.970779
where:
bonds (distance) C4'-P energy: -51.280
bonds (distance) P-C4' energy: -59.137
flat angles C4'-P-C4' energy: -61.746
flat angles P-C4'-P energy: -50.012
tors. eta vs tors. theta energy: -86.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -976.494218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.494218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.494218 (E_RNA)
where:
Base-Base interactions energy: -669.876
where: short stacking energy: -294.174
Base-Backbone interact. energy: -0.682
local terms energy: -305.936122
where:
bonds (distance) C4'-P energy: -55.116
bonds (distance) P-C4' energy: -46.772
flat angles C4'-P-C4' energy: -67.651
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -89.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -968.945003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.945003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.945003 (E_RNA)
where:
Base-Base interactions energy: -664.917
where: short stacking energy: -298.103
Base-Backbone interact. energy: -0.386
local terms energy: -303.642314
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -42.735
tors. eta vs tors. theta energy: -90.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -863.149652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.149652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.149652 (E_RNA)
where:
Base-Base interactions energy: -585.033
where: short stacking energy: -258.156
Base-Backbone interact. energy: -0.357
local terms energy: -277.759679
where:
bonds (distance) C4'-P energy: -46.993
bonds (distance) P-C4' energy: -54.909
flat angles C4'-P-C4' energy: -58.155
flat angles P-C4'-P energy: -48.511
tors. eta vs tors. theta energy: -69.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -834.561239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.561239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.561239 (E_RNA)
where:
Base-Base interactions energy: -563.806
where: short stacking energy: -235.659
Base-Backbone interact. energy: -0.151
local terms energy: -270.603747
where:
bonds (distance) C4'-P energy: -52.547
bonds (distance) P-C4' energy: -47.554
flat angles C4'-P-C4' energy: -58.832
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -77.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -747.234488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.234488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.234488 (E_RNA)
where:
Base-Base interactions energy: -482.860
where: short stacking energy: -238.705
Base-Backbone interact. energy: 0.103
local terms energy: -264.477329
where:
bonds (distance) C4'-P energy: -44.858
bonds (distance) P-C4' energy: -58.622
flat angles C4'-P-C4' energy: -56.465
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -70.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -646.286400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.286400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.286400 (E_RNA)
where:
Base-Base interactions energy: -418.535
where: short stacking energy: -197.491
Base-Backbone interact. energy: -0.638
local terms energy: -227.113290
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -51.915
flat angles C4'-P-C4' energy: -60.170
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -45.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -479.655032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.655032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.655032 (E_RNA)
where:
Base-Base interactions energy: -279.488
where: short stacking energy: -128.845
Base-Backbone interact. energy: 1.411
local terms energy: -201.578934
where:
bonds (distance) C4'-P energy: -50.456
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -51.238
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -414.600731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.600731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.600731 (E_RNA)
where:
Base-Base interactions energy: -213.077
where: short stacking energy: -113.964
Base-Backbone interact. energy: -0.957
local terms energy: -200.567071
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -51.258
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -355.685071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.685071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.685071 (E_RNA)
where:
Base-Base interactions energy: -188.010
where: short stacking energy: -94.303
Base-Backbone interact. energy: 3.145
local terms energy: -170.819866
where:
bonds (distance) C4'-P energy: -49.456
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -46.094
flat angles P-C4'-P energy: -26.253
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -998.346038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.346038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.346038 (E_RNA)
where:
Base-Base interactions energy: -675.836
where: short stacking energy: -309.816
Base-Backbone interact. energy: -0.235
local terms energy: -322.275155
where:
bonds (distance) C4'-P energy: -53.675
bonds (distance) P-C4' energy: -59.129
flat angles C4'-P-C4' energy: -65.749
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -93.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -952.797861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.797861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.797861 (E_RNA)
where:
Base-Base interactions energy: -652.344
where: short stacking energy: -294.867
Base-Backbone interact. energy: -0.107
local terms energy: -300.346533
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -49.889
flat angles C4'-P-C4' energy: -67.301
flat angles P-C4'-P energy: -40.452
tors. eta vs tors. theta energy: -89.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -964.650374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.650374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.650374 (E_RNA)
where:
Base-Base interactions energy: -662.052
where: short stacking energy: -295.827
Base-Backbone interact. energy: -0.313
local terms energy: -302.285141
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -62.511
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -93.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -907.316631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.316631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.316631 (E_RNA)
where:
Base-Base interactions energy: -617.088
where: short stacking energy: -274.506
Base-Backbone interact. energy: 0.432
local terms energy: -290.660393
where:
bonds (distance) C4'-P energy: -48.639
bonds (distance) P-C4' energy: -59.383
flat angles C4'-P-C4' energy: -64.920
flat angles P-C4'-P energy: -39.989
tors. eta vs tors. theta energy: -77.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -845.009044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.009044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.009044 (E_RNA)
where:
Base-Base interactions energy: -571.875
where: short stacking energy: -249.578
Base-Backbone interact. energy: -1.767
local terms energy: -271.366666
where:
bonds (distance) C4'-P energy: -40.262
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -62.930
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: -78.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -722.280982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.280982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.280982 (E_RNA)
where:
Base-Base interactions energy: -485.252
where: short stacking energy: -215.179
Base-Backbone interact. energy: 0.545
local terms energy: -237.574179
where:
bonds (distance) C4'-P energy: -51.400
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -56.934
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -52.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -631.480078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.480078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.480078 (E_RNA)
where:
Base-Base interactions energy: -396.423
where: short stacking energy: -192.326
Base-Backbone interact. energy: -0.594
local terms energy: -234.463359
where:
bonds (distance) C4'-P energy: -52.488
bonds (distance) P-C4' energy: -50.550
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: -43.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -475.263177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.263177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.263177 (E_RNA)
where:
Base-Base interactions energy: -264.698
where: short stacking energy: -141.169
Base-Backbone interact. energy: -0.411
local terms energy: -210.154293
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -46.431
flat angles C4'-P-C4' energy: -45.009
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -33.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -376.125207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.125207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.125207 (E_RNA)
where:
Base-Base interactions energy: -191.803
where: short stacking energy: -106.596
Base-Backbone interact. energy: -1.302
local terms energy: -183.020472
where:
bonds (distance) C4'-P energy: -57.847
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -363.457578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.457578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.457578 (E_RNA)
where:
Base-Base interactions energy: -188.399
where: short stacking energy: -89.775
Base-Backbone interact. energy: -0.454
local terms energy: -174.604435
where:
bonds (distance) C4'-P energy: -49.760
bonds (distance) P-C4' energy: -54.739
flat angles C4'-P-C4' energy: -40.033
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1007.245796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.245796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.245796 (E_RNA)
where:
Base-Base interactions energy: -687.366
where: short stacking energy: -310.203
Base-Backbone interact. energy: -0.312
local terms energy: -319.567168
where:
bonds (distance) C4'-P energy: -64.688
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -68.294
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -90.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -973.087469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.087469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.087469 (E_RNA)
where:
Base-Base interactions energy: -678.361
where: short stacking energy: -302.521
Base-Backbone interact. energy: -0.331
local terms energy: -294.395829
where:
bonds (distance) C4'-P energy: -42.828
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -60.818
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -97.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -947.720931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.720931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.720931 (E_RNA)
where:
Base-Base interactions energy: -647.040
where: short stacking energy: -284.426
Base-Backbone interact. energy: 1.140
local terms energy: -301.821003
where:
bonds (distance) C4'-P energy: -58.591
bonds (distance) P-C4' energy: -57.601
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -87.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -903.500785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.500785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.500785 (E_RNA)
where:
Base-Base interactions energy: -618.644
where: short stacking energy: -260.723
Base-Backbone interact. energy: -0.708
local terms energy: -284.148520
where:
bonds (distance) C4'-P energy: -56.194
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -75.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -846.041974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.041974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.041974 (E_RNA)
where:
Base-Base interactions energy: -584.968
where: short stacking energy: -253.684
Base-Backbone interact. energy: -0.356
local terms energy: -260.717328
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -47.563
flat angles C4'-P-C4' energy: -54.483
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -82.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -765.656396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.656396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.656396 (E_RNA)
where:
Base-Base interactions energy: -484.251
where: short stacking energy: -225.247
Base-Backbone interact. energy: -2.638
local terms energy: -278.767320
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -63.328
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -62.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -667.510881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.510881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.510881 (E_RNA)
where:
Base-Base interactions energy: -432.454
where: short stacking energy: -210.778
Base-Backbone interact. energy: 0.053
local terms energy: -235.109469
where:
bonds (distance) C4'-P energy: -48.563
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: -44.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -502.713087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.713087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.713087 (E_RNA)
where:
Base-Base interactions energy: -286.878
where: short stacking energy: -148.991
Base-Backbone interact. energy: 0.171
local terms energy: -216.005380
where:
bonds (distance) C4'-P energy: -54.321
bonds (distance) P-C4' energy: -54.005
flat angles C4'-P-C4' energy: -54.711
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -372.089385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.089385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.089385 (E_RNA)
where:
Base-Base interactions energy: -199.082
where: short stacking energy: -108.054
Base-Backbone interact. energy: -0.338
local terms energy: -172.669808
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -48.032
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -405.784587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.784587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.784587 (E_RNA)
where:
Base-Base interactions energy: -239.939
where: short stacking energy: -122.651
Base-Backbone interact. energy: -0.180
local terms energy: -165.665182
where:
bonds (distance) C4'-P energy: -45.653
bonds (distance) P-C4' energy: -38.782
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1005.459163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.459163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.459163 (E_RNA)
where:
Base-Base interactions energy: -684.267
where: short stacking energy: -298.042
Base-Backbone interact. energy: -1.574
local terms energy: -319.619025
where:
bonds (distance) C4'-P energy: -62.959
bonds (distance) P-C4' energy: -56.410
flat angles C4'-P-C4' energy: -67.061
flat angles P-C4'-P energy: -42.253
tors. eta vs tors. theta energy: -90.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -972.197215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.197215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.197215 (E_RNA)
where:
Base-Base interactions energy: -662.153
where: short stacking energy: -282.896
Base-Backbone interact. energy: -0.138
local terms energy: -309.906205
where:
bonds (distance) C4'-P energy: -61.033
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -95.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -946.657227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.657227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.657227 (E_RNA)
where:
Base-Base interactions energy: -647.602
where: short stacking energy: -273.198
Base-Backbone interact. energy: -1.588
local terms energy: -297.467169
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -78.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -861.335950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.335950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.335950 (E_RNA)
where:
Base-Base interactions energy: -591.301
where: short stacking energy: -269.207
Base-Backbone interact. energy: -1.015
local terms energy: -269.020619
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -54.466
flat angles P-C4'-P energy: -40.938
tors. eta vs tors. theta energy: -67.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -850.010649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.010649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.010649 (E_RNA)
where:
Base-Base interactions energy: -563.746
where: short stacking energy: -239.805
Base-Backbone interact. energy: -2.888
local terms energy: -283.376359
where:
bonds (distance) C4'-P energy: -52.263
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -76.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -719.225745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.225745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.225745 (E_RNA)
where:
Base-Base interactions energy: -465.961
where: short stacking energy: -206.023
Base-Backbone interact. energy: -0.738
local terms energy: -252.526858
where:
bonds (distance) C4'-P energy: -36.911
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -57.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -710.148876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.148876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.148876 (E_RNA)
where:
Base-Base interactions energy: -481.700
where: short stacking energy: -208.344
Base-Backbone interact. energy: -0.055
local terms energy: -228.393483
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -55.997
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -61.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -500.212324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.212324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.212324 (E_RNA)
where:
Base-Base interactions energy: -300.404
where: short stacking energy: -147.977
Base-Backbone interact. energy: -1.510
local terms energy: -198.298215
where:
bonds (distance) C4'-P energy: -44.410
bonds (distance) P-C4' energy: -52.732
flat angles C4'-P-C4' energy: -43.800
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -27.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -425.976009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.976009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.976009 (E_RNA)
where:
Base-Base interactions energy: -234.636
where: short stacking energy: -122.142
Base-Backbone interact. energy: 0.275
local terms energy: -191.615052
where:
bonds (distance) C4'-P energy: -42.123
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -48.375
flat angles P-C4'-P energy: -34.223
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -383.024369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.024369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.024369 (E_RNA)
where:
Base-Base interactions energy: -216.532
where: short stacking energy: -107.170
Base-Backbone interact. energy: 5.881
local terms energy: -172.373236
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -50.418
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -994.214222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.214222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.214222 (E_RNA)
where:
Base-Base interactions energy: -681.498
where: short stacking energy: -307.897
Base-Backbone interact. energy: -0.299
local terms energy: -312.417003
where:
bonds (distance) C4'-P energy: -57.242
bonds (distance) P-C4' energy: -53.098
flat angles C4'-P-C4' energy: -70.089
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -89.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -976.333644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.333644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.333644 (E_RNA)
where:
Base-Base interactions energy: -669.204
where: short stacking energy: -291.224
Base-Backbone interact. energy: -0.502
local terms energy: -306.627364
where:
bonds (distance) C4'-P energy: -54.612
bonds (distance) P-C4' energy: -54.743
flat angles C4'-P-C4' energy: -65.238
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -95.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -930.359827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.359827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.359827 (E_RNA)
where:
Base-Base interactions energy: -634.483
where: short stacking energy: -278.777
Base-Backbone interact. energy: -1.270
local terms energy: -294.607121
where:
bonds (distance) C4'-P energy: -58.217
bonds (distance) P-C4' energy: -59.503
flat angles C4'-P-C4' energy: -61.394
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -74.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -871.973712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.973712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.973712 (E_RNA)
where:
Base-Base interactions energy: -591.874
where: short stacking energy: -254.146
Base-Backbone interact. energy: -1.505
local terms energy: -278.595414
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -54.776
flat angles C4'-P-C4' energy: -60.472
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: -86.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -814.885731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.885731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.885731 (E_RNA)
where:
Base-Base interactions energy: -557.294
where: short stacking energy: -255.078
Base-Backbone interact. energy: -1.516
local terms energy: -256.075775
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -73.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -759.510060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.510060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.510060 (E_RNA)
where:
Base-Base interactions energy: -497.544
where: short stacking energy: -229.997
Base-Backbone interact. energy: -0.861
local terms energy: -261.104669
where:
bonds (distance) C4'-P energy: -44.033
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -52.863
flat angles P-C4'-P energy: -45.738
tors. eta vs tors. theta energy: -66.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -694.167238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.167238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.167238 (E_RNA)
where:
Base-Base interactions energy: -459.117
where: short stacking energy: -210.240
Base-Backbone interact. energy: 0.136
local terms energy: -235.186271
where:
bonds (distance) C4'-P energy: -47.777
bonds (distance) P-C4' energy: -55.671
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -49.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -498.356144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.356144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.356144 (E_RNA)
where:
Base-Base interactions energy: -305.777
where: short stacking energy: -127.731
Base-Backbone interact. energy: -2.398
local terms energy: -190.181095
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -57.798
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -390.399288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.399288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.399288 (E_RNA)
where:
Base-Base interactions energy: -227.939
where: short stacking energy: -112.372
Base-Backbone interact. energy: -0.339
local terms energy: -162.121453
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -55.290
flat angles C4'-P-C4' energy: -40.998
flat angles P-C4'-P energy: -26.154
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -458.155012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.155012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.155012 (E_RNA)
where:
Base-Base interactions energy: -256.265
where: short stacking energy: -115.854
Base-Backbone interact. energy: -2.125
local terms energy: -199.765597
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -52.071
flat angles C4'-P-C4' energy: -41.585
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -990.695360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.695360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.695360 (E_RNA)
where:
Base-Base interactions energy: -681.841
where: short stacking energy: -301.089
Base-Backbone interact. energy: -0.829
local terms energy: -308.025367
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -62.635
flat angles P-C4'-P energy: -44.211
tors. eta vs tors. theta energy: -89.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -975.856490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.856490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.856490 (E_RNA)
where:
Base-Base interactions energy: -678.050
where: short stacking energy: -305.771
Base-Backbone interact. energy: -0.071
local terms energy: -297.735520
where:
bonds (distance) C4'-P energy: -54.256
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -52.195
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -99.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -942.950160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.950160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.950160 (E_RNA)
where:
Base-Base interactions energy: -650.052
where: short stacking energy: -283.376
Base-Backbone interact. energy: -0.545
local terms energy: -292.352549
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -59.736
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -83.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -881.415875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.415875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.415875 (E_RNA)
where:
Base-Base interactions energy: -578.557
where: short stacking energy: -253.496
Base-Backbone interact. energy: -0.720
local terms energy: -302.139540
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -59.912
flat angles C4'-P-C4' energy: -60.604
flat angles P-C4'-P energy: -45.778
tors. eta vs tors. theta energy: -83.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -854.983007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.983007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.983007 (E_RNA)
where:
Base-Base interactions energy: -581.115
where: short stacking energy: -261.256
Base-Backbone interact. energy: -0.338
local terms energy: -273.530568
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -73.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -749.548008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.548008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.548008 (E_RNA)
where:
Base-Base interactions energy: -514.932
where: short stacking energy: -231.674
Base-Backbone interact. energy: -1.048
local terms energy: -233.567795
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -45.733
flat angles P-C4'-P energy: -32.206
tors. eta vs tors. theta energy: -60.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -666.182583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.182583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.182583 (E_RNA)
where:
Base-Base interactions energy: -441.413
where: short stacking energy: -213.159
Base-Backbone interact. energy: -1.045
local terms energy: -223.724661
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -45.449
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -51.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -478.324592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.324592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.324592 (E_RNA)
where:
Base-Base interactions energy: -285.875
where: short stacking energy: -145.257
Base-Backbone interact. energy: 0.980
local terms energy: -193.428720
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -36.501
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -481.739653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.739653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.739653 (E_RNA)
where:
Base-Base interactions energy: -302.082
where: short stacking energy: -147.940
Base-Backbone interact. energy: -1.807
local terms energy: -177.850679
where:
bonds (distance) C4'-P energy: -44.726
bonds (distance) P-C4' energy: -42.019
flat angles C4'-P-C4' energy: -51.525
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -366.843237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.843237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.843237 (E_RNA)
where:
Base-Base interactions energy: -209.609
where: short stacking energy: -103.880
Base-Backbone interact. energy: -0.463
local terms energy: -156.770959
where:
bonds (distance) C4'-P energy: -40.239
bonds (distance) P-C4' energy: -46.191
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -983.135741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.135741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.135741 (E_RNA)
where:
Base-Base interactions energy: -673.750
where: short stacking energy: -293.430
Base-Backbone interact. energy: -0.982
local terms energy: -308.403500
where:
bonds (distance) C4'-P energy: -58.129
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -68.997
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -83.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -954.033382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.033382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.033382 (E_RNA)
where:
Base-Base interactions energy: -658.875
where: short stacking energy: -294.734
Base-Backbone interact. energy: 0.787
local terms energy: -295.945066
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -62.653
flat angles P-C4'-P energy: -35.728
tors. eta vs tors. theta energy: -89.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -931.432938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.432938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.432938 (E_RNA)
where:
Base-Base interactions energy: -643.130
where: short stacking energy: -281.474
Base-Backbone interact. energy: 0.147
local terms energy: -288.449763
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -54.121
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -88.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -879.939526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.939526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.939526 (E_RNA)
where:
Base-Base interactions energy: -608.670
where: short stacking energy: -276.178
Base-Backbone interact. energy: -0.906
local terms energy: -270.362974
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -59.676
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -73.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -846.863175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.863175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.863175 (E_RNA)
where:
Base-Base interactions energy: -583.046
where: short stacking energy: -255.748
Base-Backbone interact. energy: -2.107
local terms energy: -261.710466
where:
bonds (distance) C4'-P energy: -47.430
bonds (distance) P-C4' energy: -55.588
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -73.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -746.159027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.159027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.159027 (E_RNA)
where:
Base-Base interactions energy: -490.024
where: short stacking energy: -220.957
Base-Backbone interact. energy: -0.486
local terms energy: -255.648678
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -53.831
flat angles C4'-P-C4' energy: -57.061
flat angles P-C4'-P energy: -38.518
tors. eta vs tors. theta energy: -57.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -657.316915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.316915 (E_RNA)
where:
Base-Base interactions energy: -419.433
where: short stacking energy: -201.483
Base-Backbone interact. energy: -1.759
local terms energy: -236.124748
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -52.411
flat angles C4'-P-C4' energy: -43.544
flat angles P-C4'-P energy: -39.105
tors. eta vs tors. theta energy: -52.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -509.012590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.012590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.012590 (E_RNA)
where:
Base-Base interactions energy: -292.994
where: short stacking energy: -160.490
Base-Backbone interact. energy: -0.274
local terms energy: -215.745028
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -45.646
flat angles P-C4'-P energy: -35.925
tors. eta vs tors. theta energy: -40.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -492.434742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.434742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.434742 (E_RNA)
where:
Base-Base interactions energy: -297.221
where: short stacking energy: -137.389
Base-Backbone interact. energy: 0.195
local terms energy: -195.409104
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -32.821
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -29.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -353.309603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.309603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.309603 (E_RNA)
where:
Base-Base interactions energy: -181.175
where: short stacking energy: -102.800
Base-Backbone interact. energy: -1.641
local terms energy: -170.493460
where:
bonds (distance) C4'-P energy: -44.349
bonds (distance) P-C4' energy: -51.179
flat angles C4'-P-C4' energy: -38.721
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -998.892683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.892683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.892683 (E_RNA)
where:
Base-Base interactions energy: -694.096
where: short stacking energy: -312.297
Base-Backbone interact. energy: -0.666
local terms energy: -304.131294
where:
bonds (distance) C4'-P energy: -49.980
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -58.437
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -102.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -981.062521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.062521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.062521 (E_RNA)
where:
Base-Base interactions energy: -668.699
where: short stacking energy: -305.279
Base-Backbone interact. energy: -0.991
local terms energy: -311.371755
where:
bonds (distance) C4'-P energy: -52.721
bonds (distance) P-C4' energy: -55.213
flat angles C4'-P-C4' energy: -68.317
flat angles P-C4'-P energy: -44.221
tors. eta vs tors. theta energy: -90.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -963.691250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.691250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.691250 (E_RNA)
where:
Base-Base interactions energy: -652.533
where: short stacking energy: -297.821
Base-Backbone interact. energy: -2.786
local terms energy: -308.372456
where:
bonds (distance) C4'-P energy: -61.917
bonds (distance) P-C4' energy: -60.256
flat angles C4'-P-C4' energy: -56.828
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -93.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -864.327821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.327821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.327821 (E_RNA)
where:
Base-Base interactions energy: -596.816
where: short stacking energy: -252.917
Base-Backbone interact. energy: -2.338
local terms energy: -265.173853
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -51.914
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -77.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -826.895789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.895789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.895789 (E_RNA)
where:
Base-Base interactions energy: -560.969
where: short stacking energy: -244.548
Base-Backbone interact. energy: 0.293
local terms energy: -266.219884
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -56.039
flat angles C4'-P-C4' energy: -60.875
flat angles P-C4'-P energy: -32.641
tors. eta vs tors. theta energy: -72.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -716.413301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.413301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.413301 (E_RNA)
where:
Base-Base interactions energy: -472.280
where: short stacking energy: -224.399
Base-Backbone interact. energy: -1.180
local terms energy: -242.952601
where:
bonds (distance) C4'-P energy: -48.632
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -51.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -690.248125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.248125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.248125 (E_RNA)
where:
Base-Base interactions energy: -455.696
where: short stacking energy: -197.582
Base-Backbone interact. energy: -0.811
local terms energy: -233.740442
where:
bonds (distance) C4'-P energy: -48.672
bonds (distance) P-C4' energy: -60.052
flat angles C4'-P-C4' energy: -45.200
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -42.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -472.041023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.041023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.041023 (E_RNA)
where:
Base-Base interactions energy: -280.245
where: short stacking energy: -131.558
Base-Backbone interact. energy: -0.165
local terms energy: -191.630920
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -37.390
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -450.949184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.949184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.949184 (E_RNA)
where:
Base-Base interactions energy: -261.406
where: short stacking energy: -130.408
Base-Backbone interact. energy: -3.104
local terms energy: -186.439611
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -45.950
flat angles C4'-P-C4' energy: -46.913
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -355.463695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.463695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.463695 (E_RNA)
where:
Base-Base interactions energy: -196.586
where: short stacking energy: -98.432
Base-Backbone interact. energy: -0.349
local terms energy: -158.528847
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -30.107
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1002.879487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.879487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.879487 (E_RNA)
where:
Base-Base interactions energy: -687.220
where: short stacking energy: -320.689
Base-Backbone interact. energy: -0.498
local terms energy: -315.161480
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -53.336
flat angles C4'-P-C4' energy: -63.340
flat angles P-C4'-P energy: -44.257
tors. eta vs tors. theta energy: -102.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -972.364178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.364178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.364178 (E_RNA)
where:
Base-Base interactions energy: -664.550
where: short stacking energy: -293.980
Base-Backbone interact. energy: -0.636
local terms energy: -307.178334
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -55.815
flat angles C4'-P-C4' energy: -59.434
flat angles P-C4'-P energy: -46.180
tors. eta vs tors. theta energy: -92.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -931.580992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.580992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.580992 (E_RNA)
where:
Base-Base interactions energy: -641.472
where: short stacking energy: -310.082
Base-Backbone interact. energy: -0.451
local terms energy: -289.658529
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -53.252
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -89.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -872.704431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.704431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.704431 (E_RNA)
where:
Base-Base interactions energy: -604.339
where: short stacking energy: -254.486
Base-Backbone interact. energy: -0.237
local terms energy: -268.128367
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -50.943
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -79.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -849.890224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.890224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.890224 (E_RNA)
where:
Base-Base interactions energy: -580.459
where: short stacking energy: -252.709
Base-Backbone interact. energy: 5.673
local terms energy: -275.104804
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -57.559
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -66.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -747.868163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.868163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.868163 (E_RNA)
where:
Base-Base interactions energy: -501.162
where: short stacking energy: -219.874
Base-Backbone interact. energy: 0.271
local terms energy: -246.977550
where:
bonds (distance) C4'-P energy: -45.780
bonds (distance) P-C4' energy: -52.824
flat angles C4'-P-C4' energy: -48.522
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -67.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -753.275112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.275112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.275112 (E_RNA)
where:
Base-Base interactions energy: -517.765
where: short stacking energy: -215.832
Base-Backbone interact. energy: -1.547
local terms energy: -233.963459
where:
bonds (distance) C4'-P energy: -51.266
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -52.267
flat angles P-C4'-P energy: -25.447
tors. eta vs tors. theta energy: -50.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -493.339824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.339824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.339824 (E_RNA)
where:
Base-Base interactions energy: -295.954
where: short stacking energy: -149.954
Base-Backbone interact. energy: -0.360
local terms energy: -197.025478
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -50.392
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -467.656148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.656148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.656148 (E_RNA)
where:
Base-Base interactions energy: -268.698
where: short stacking energy: -120.388
Base-Backbone interact. energy: -0.371
local terms energy: -198.586682
where:
bonds (distance) C4'-P energy: -53.623
bonds (distance) P-C4' energy: -45.575
flat angles C4'-P-C4' energy: -46.591
flat angles P-C4'-P energy: -33.660
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -358.945403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.945403 (E_RNA)
where:
Base-Base interactions energy: -188.151
where: short stacking energy: -116.486
Base-Backbone interact. energy: 2.114
local terms energy: -172.908510
where:
bonds (distance) C4'-P energy: -43.818
bonds (distance) P-C4' energy: -39.471
flat angles C4'-P-C4' energy: -42.874
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -997.102663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.102663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.102663 (E_RNA)
where:
Base-Base interactions energy: -674.032
where: short stacking energy: -295.427
Base-Backbone interact. energy: -1.273
local terms energy: -321.798445
where:
bonds (distance) C4'-P energy: -56.330
bonds (distance) P-C4' energy: -59.417
flat angles C4'-P-C4' energy: -69.815
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -93.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -973.438570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.438570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.438570 (E_RNA)
where:
Base-Base interactions energy: -671.215
where: short stacking energy: -300.906
Base-Backbone interact. energy: -0.080
local terms energy: -302.143992
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -58.256
flat angles C4'-P-C4' energy: -66.298
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -98.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -954.219217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.219217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.219217 (E_RNA)
where:
Base-Base interactions energy: -650.830
where: short stacking energy: -306.502
Base-Backbone interact. energy: -0.629
local terms energy: -302.760224
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -94.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -872.791303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.791303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.791303 (E_RNA)
where:
Base-Base interactions energy: -599.081
where: short stacking energy: -274.790
Base-Backbone interact. energy: 2.703
local terms energy: -276.413563
where:
bonds (distance) C4'-P energy: -47.977
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -55.336
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -78.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -847.981989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.981989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.981989 (E_RNA)
where:
Base-Base interactions energy: -578.267
where: short stacking energy: -253.914
Base-Backbone interact. energy: -1.366
local terms energy: -268.348938
where:
bonds (distance) C4'-P energy: -37.298
bonds (distance) P-C4' energy: -52.391
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -48.060
tors. eta vs tors. theta energy: -73.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -762.676092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.676092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.676092 (E_RNA)
where:
Base-Base interactions energy: -526.482
where: short stacking energy: -235.572
Base-Backbone interact. energy: -1.071
local terms energy: -235.123545
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -47.108
flat angles C4'-P-C4' energy: -43.941
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -66.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -705.984585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.984585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.984585 (E_RNA)
where:
Base-Base interactions energy: -472.597
where: short stacking energy: -210.040
Base-Backbone interact. energy: -0.646
local terms energy: -232.741262
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -49.480
flat angles C4'-P-C4' energy: -60.252
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -41.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -478.969787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.969787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.969787 (E_RNA)
where:
Base-Base interactions energy: -280.025
where: short stacking energy: -140.679
Base-Backbone interact. energy: -1.929
local terms energy: -197.016669
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -34.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -472.854771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.854771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.854771 (E_RNA)
where:
Base-Base interactions energy: -269.254
where: short stacking energy: -134.122
Base-Backbone interact. energy: -1.041
local terms energy: -202.560685
where:
bonds (distance) C4'-P energy: -40.211
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -52.705
flat angles P-C4'-P energy: -35.967
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -366.001105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.001105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.001105 (E_RNA)
where:
Base-Base interactions energy: -207.918
where: short stacking energy: -111.790
Base-Backbone interact. energy: 0.398
local terms energy: -158.481170
where:
bonds (distance) C4'-P energy: -44.726
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -31.565
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1003.974215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.974215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.974215 (E_RNA)
where:
Base-Base interactions energy: -691.628
where: short stacking energy: -300.132
Base-Backbone interact. energy: 0.433
local terms energy: -312.779295
where:
bonds (distance) C4'-P energy: -53.552
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -69.810
flat angles P-C4'-P energy: -37.911
tors. eta vs tors. theta energy: -94.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -998.191662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.191662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.191662 (E_RNA)
where:
Base-Base interactions energy: -681.471
where: short stacking energy: -308.211
Base-Backbone interact. energy: -2.000
local terms energy: -314.719816
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -53.251
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -97.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -947.615404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.615404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.615404 (E_RNA)
where:
Base-Base interactions energy: -661.019
where: short stacking energy: -284.666
Base-Backbone interact. energy: -0.626
local terms energy: -285.969587
where:
bonds (distance) C4'-P energy: -52.427
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -59.015
flat angles P-C4'-P energy: -39.830
tors. eta vs tors. theta energy: -80.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -857.622353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.622353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.622353 (E_RNA)
where:
Base-Base interactions energy: -585.043
where: short stacking energy: -258.125
Base-Backbone interact. energy: -1.097
local terms energy: -271.482092
where:
bonds (distance) C4'-P energy: -52.486
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: -68.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -839.211591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.211591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.211591 (E_RNA)
where:
Base-Base interactions energy: -561.774
where: short stacking energy: -245.725
Base-Backbone interact. energy: -0.391
local terms energy: -277.047292
where:
bonds (distance) C4'-P energy: -54.526
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -58.976
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -68.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -772.501710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.501710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.501710 (E_RNA)
where:
Base-Base interactions energy: -509.804
where: short stacking energy: -223.350
Base-Backbone interact. energy: 2.325
local terms energy: -265.022503
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -61.762
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -70.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -690.177327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.177327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.177327 (E_RNA)
where:
Base-Base interactions energy: -450.444
where: short stacking energy: -189.405
Base-Backbone interact. energy: 1.739
local terms energy: -241.472300
where:
bonds (distance) C4'-P energy: -41.839
bonds (distance) P-C4' energy: -57.978
flat angles C4'-P-C4' energy: -49.548
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -56.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -487.404413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.404413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.404413 (E_RNA)
where:
Base-Base interactions energy: -284.738
where: short stacking energy: -131.629
Base-Backbone interact. energy: -1.164
local terms energy: -201.502168
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -52.952
flat angles P-C4'-P energy: -36.652
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -500.767043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.767043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.767043 (E_RNA)
where:
Base-Base interactions energy: -293.293
where: short stacking energy: -158.724
Base-Backbone interact. energy: -0.010
local terms energy: -207.463525
where:
bonds (distance) C4'-P energy: -43.799
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -31.042
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -345.358666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.358666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.358666 (E_RNA)
where:
Base-Base interactions energy: -163.764
where: short stacking energy: -66.488
Base-Backbone interact. energy: 3.650
local terms energy: -185.244755
where:
bonds (distance) C4'-P energy: -53.941
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -41.791
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -988.060225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.060225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.060225 (E_RNA)
where:
Base-Base interactions energy: -666.993
where: short stacking energy: -288.791
Base-Backbone interact. energy: -1.989
local terms energy: -319.078146
where:
bonds (distance) C4'-P energy: -61.365
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -60.556
flat angles P-C4'-P energy: -47.934
tors. eta vs tors. theta energy: -88.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -962.496389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.496389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.496389 (E_RNA)
where:
Base-Base interactions energy: -651.113
where: short stacking energy: -287.144
Base-Backbone interact. energy: -1.423
local terms energy: -309.960365
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -62.195
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -86.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -931.638728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.638728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.638728 (E_RNA)
where:
Base-Base interactions energy: -649.998
where: short stacking energy: -276.457
Base-Backbone interact. energy: 0.084
local terms energy: -281.724168
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -58.322
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -80.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -863.886103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.886103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.886103 (E_RNA)
where:
Base-Base interactions energy: -587.125
where: short stacking energy: -243.623
Base-Backbone interact. energy: 0.413
local terms energy: -277.174692
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -66.514
flat angles P-C4'-P energy: -43.589
tors. eta vs tors. theta energy: -71.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -832.968368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.968368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.968368 (E_RNA)
where:
Base-Base interactions energy: -571.195
where: short stacking energy: -256.605
Base-Backbone interact. energy: -0.380
local terms energy: -261.393673
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -49.621
flat angles C4'-P-C4' energy: -50.238
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -78.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -719.529519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.529519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.529519 (E_RNA)
where:
Base-Base interactions energy: -488.260
where: short stacking energy: -202.049
Base-Backbone interact. energy: -0.720
local terms energy: -230.549646
where:
bonds (distance) C4'-P energy: -54.733
bonds (distance) P-C4' energy: -47.755
flat angles C4'-P-C4' energy: -50.741
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: -46.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -684.675876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.675876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.675876 (E_RNA)
where:
Base-Base interactions energy: -433.210
where: short stacking energy: -183.125
Base-Backbone interact. energy: -0.604
local terms energy: -250.861722
where:
bonds (distance) C4'-P energy: -48.869
bonds (distance) P-C4' energy: -56.818
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -53.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -471.165101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.165101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.165101 (E_RNA)
where:
Base-Base interactions energy: -276.919
where: short stacking energy: -148.813
Base-Backbone interact. energy: -0.598
local terms energy: -193.647436
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -49.659
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -31.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -463.518727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.518727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.518727 (E_RNA)
where:
Base-Base interactions energy: -275.459
where: short stacking energy: -143.431
Base-Backbone interact. energy: -0.894
local terms energy: -187.165643
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -54.361
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -31.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -334.726527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.726527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.726527 (E_RNA)
where:
Base-Base interactions energy: -184.089
where: short stacking energy: -101.363
Base-Backbone interact. energy: 3.937
local terms energy: -154.574424
where:
bonds (distance) C4'-P energy: -34.620
bonds (distance) P-C4' energy: -60.276
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: 5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1000.112039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.112039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.112039 (E_RNA)
where:
Base-Base interactions energy: -686.928
where: short stacking energy: -304.468
Base-Backbone interact. energy: -0.962
local terms energy: -312.222179
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -42.705
tors. eta vs tors. theta energy: -95.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -943.111822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.111822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.111822 (E_RNA)
where:
Base-Base interactions energy: -643.679
where: short stacking energy: -277.394
Base-Backbone interact. energy: -2.474
local terms energy: -296.958810
where:
bonds (distance) C4'-P energy: -54.574
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: -80.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -945.359516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.359516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.359516 (E_RNA)
where:
Base-Base interactions energy: -642.813
where: short stacking energy: -282.080
Base-Backbone interact. energy: -0.805
local terms energy: -301.740892
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -55.204
flat angles C4'-P-C4' energy: -60.301
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -84.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -867.523233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.523233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.523233 (E_RNA)
where:
Base-Base interactions energy: -585.019
where: short stacking energy: -258.343
Base-Backbone interact. energy: 0.667
local terms energy: -283.171217
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -55.418
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: -73.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -844.308551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.308551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.308551 (E_RNA)
where:
Base-Base interactions energy: -580.715
where: short stacking energy: -245.335
Base-Backbone interact. energy: -0.033
local terms energy: -263.560508
where:
bonds (distance) C4'-P energy: -40.159
bonds (distance) P-C4' energy: -46.964
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -40.186
tors. eta vs tors. theta energy: -74.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -714.376043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.376043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.376043 (E_RNA)
where:
Base-Base interactions energy: -462.053
where: short stacking energy: -214.138
Base-Backbone interact. energy: -0.976
local terms energy: -251.346882
where:
bonds (distance) C4'-P energy: -48.071
bonds (distance) P-C4' energy: -57.580
flat angles C4'-P-C4' energy: -43.449
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -55.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -713.781862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.781862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.781862 (E_RNA)
where:
Base-Base interactions energy: -482.707
where: short stacking energy: -205.426
Base-Backbone interact. energy: -1.371
local terms energy: -229.704025
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -46.729
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -35.116
tors. eta vs tors. theta energy: -56.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -497.744022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.744022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.744022 (E_RNA)
where:
Base-Base interactions energy: -296.478
where: short stacking energy: -162.970
Base-Backbone interact. energy: -0.008
local terms energy: -201.258604
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -43.759
flat angles C4'-P-C4' energy: -43.512
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -40.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -435.206942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.206942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.206942 (E_RNA)
where:
Base-Base interactions energy: -219.107
where: short stacking energy: -102.976
Base-Backbone interact. energy: 0.168
local terms energy: -216.268516
where:
bonds (distance) C4'-P energy: -57.373
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -48.569
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -358.833484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.833484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.833484 (E_RNA)
where:
Base-Base interactions energy: -179.278
where: short stacking energy: -108.017
Base-Backbone interact. energy: -1.382
local terms energy: -178.172688
where:
bonds (distance) C4'-P energy: -49.340
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -52.878
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1015.341714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.341714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.341714 (E_RNA)
where:
Base-Base interactions energy: -686.885
where: short stacking energy: -309.323
Base-Backbone interact. energy: -0.855
local terms energy: -327.602013
where:
bonds (distance) C4'-P energy: -54.175
bonds (distance) P-C4' energy: -55.475
flat angles C4'-P-C4' energy: -71.537
flat angles P-C4'-P energy: -47.605
tors. eta vs tors. theta energy: -98.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -939.218238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.218238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.218238 (E_RNA)
where:
Base-Base interactions energy: -632.308
where: short stacking energy: -270.493
Base-Backbone interact. energy: -2.323
local terms energy: -304.587286
where:
bonds (distance) C4'-P energy: -50.069
bonds (distance) P-C4' energy: -56.890
flat angles C4'-P-C4' energy: -62.976
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -86.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -936.055756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.055756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.055756 (E_RNA)
where:
Base-Base interactions energy: -638.124
where: short stacking energy: -289.452
Base-Backbone interact. energy: 0.015
local terms energy: -297.945915
where:
bonds (distance) C4'-P energy: -43.159
bonds (distance) P-C4' energy: -62.415
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -89.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -857.328451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.328451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.328451 (E_RNA)
where:
Base-Base interactions energy: -578.509
where: short stacking energy: -257.850
Base-Backbone interact. energy: -0.618
local terms energy: -278.201873
where:
bonds (distance) C4'-P energy: -48.853
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -70.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -844.296456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.296456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.296456 (E_RNA)
where:
Base-Base interactions energy: -583.315
where: short stacking energy: -257.634
Base-Backbone interact. energy: -0.759
local terms energy: -260.222002
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -53.885
flat angles C4'-P-C4' energy: -49.095
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -79.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -723.891340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.891340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.891340 (E_RNA)
where:
Base-Base interactions energy: -471.986
where: short stacking energy: -204.203
Base-Backbone interact. energy: 0.453
local terms energy: -252.358056
where:
bonds (distance) C4'-P energy: -54.810
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -58.128
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -51.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -690.113716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.113716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.113716 (E_RNA)
where:
Base-Base interactions energy: -453.613
where: short stacking energy: -195.804
Base-Backbone interact. energy: -0.852
local terms energy: -235.648419
where:
bonds (distance) C4'-P energy: -43.903
bonds (distance) P-C4' energy: -44.060
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -32.989
tors. eta vs tors. theta energy: -54.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -470.217206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.217206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.217206 (E_RNA)
where:
Base-Base interactions energy: -269.140
where: short stacking energy: -136.856
Base-Backbone interact. energy: -1.557
local terms energy: -199.520570
where:
bonds (distance) C4'-P energy: -39.304
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -448.123243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.123243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.123243 (E_RNA)
where:
Base-Base interactions energy: -251.521
where: short stacking energy: -127.815
Base-Backbone interact. energy: -1.930
local terms energy: -194.672830
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -56.386
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -343.840072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.840072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.840072 (E_RNA)
where:
Base-Base interactions energy: -167.922
where: short stacking energy: -90.552
Base-Backbone interact. energy: 2.447
local terms energy: -178.365269
where:
bonds (distance) C4'-P energy: -51.928
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -48.399
flat angles P-C4'-P energy: -36.756
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1003.959448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.959448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.959448 (E_RNA)
where:
Base-Base interactions energy: -679.285
where: short stacking energy: -310.180
Base-Backbone interact. energy: -3.042
local terms energy: -321.631716
where:
bonds (distance) C4'-P energy: -55.973
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -64.356
flat angles P-C4'-P energy: -52.369
tors. eta vs tors. theta energy: -89.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -979.433024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.433024 (E_RNA)
where:
Base-Base interactions energy: -655.791
where: short stacking energy: -286.423
Base-Backbone interact. energy: -1.684
local terms energy: -321.958238
where:
bonds (distance) C4'-P energy: -61.868
bonds (distance) P-C4' energy: -59.113
flat angles C4'-P-C4' energy: -67.027
flat angles P-C4'-P energy: -47.537
tors. eta vs tors. theta energy: -86.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -921.370776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.370776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.370776 (E_RNA)
where:
Base-Base interactions energy: -625.419
where: short stacking energy: -277.190
Base-Backbone interact. energy: 1.079
local terms energy: -297.030614
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -58.307
flat angles C4'-P-C4' energy: -56.531
flat angles P-C4'-P energy: -44.171
tors. eta vs tors. theta energy: -85.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -883.321547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.321547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.321547 (E_RNA)
where:
Base-Base interactions energy: -601.282
where: short stacking energy: -264.467
Base-Backbone interact. energy: -0.780
local terms energy: -281.259153
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -86.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -824.235089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.235089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.235089 (E_RNA)
where:
Base-Base interactions energy: -550.961
where: short stacking energy: -235.228
Base-Backbone interact. energy: -2.817
local terms energy: -270.457864
where:
bonds (distance) C4'-P energy: -51.370
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -62.520
flat angles P-C4'-P energy: -30.761
tors. eta vs tors. theta energy: -66.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -761.864122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.864122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.864122 (E_RNA)
where:
Base-Base interactions energy: -476.282
where: short stacking energy: -228.577
Base-Backbone interact. energy: 0.228
local terms energy: -285.810835
where:
bonds (distance) C4'-P energy: -51.083
bonds (distance) P-C4' energy: -65.184
flat angles C4'-P-C4' energy: -61.995
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: -66.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -666.841926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.841926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.841926 (E_RNA)
where:
Base-Base interactions energy: -431.008
where: short stacking energy: -189.330
Base-Backbone interact. energy: -0.394
local terms energy: -235.439894
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -53.190
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -47.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -485.728584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.728584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.728584 (E_RNA)
where:
Base-Base interactions energy: -289.778
where: short stacking energy: -155.718
Base-Backbone interact. energy: -1.238
local terms energy: -194.713387
where:
bonds (distance) C4'-P energy: -44.148
bonds (distance) P-C4' energy: -35.908
flat angles C4'-P-C4' energy: -40.165
flat angles P-C4'-P energy: -36.528
tors. eta vs tors. theta energy: -37.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -451.825742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.825742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.825742 (E_RNA)
where:
Base-Base interactions energy: -278.777
where: short stacking energy: -143.704
Base-Backbone interact. energy: 4.315
local terms energy: -177.364631
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -47.037
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -372.037247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.037247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.037247 (E_RNA)
where:
Base-Base interactions energy: -207.786
where: short stacking energy: -113.939
Base-Backbone interact. energy: -0.825
local terms energy: -163.425541
where:
bonds (distance) C4'-P energy: -46.783
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -37.774
flat angles P-C4'-P energy: -20.080
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -986.265548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.265548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.265548 (E_RNA)
where:
Base-Base interactions energy: -662.308
where: short stacking energy: -285.653
Base-Backbone interact. energy: -1.635
local terms energy: -322.322736
where:
bonds (distance) C4'-P energy: -57.976
bonds (distance) P-C4' energy: -59.095
flat angles C4'-P-C4' energy: -68.005
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -92.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -982.850384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.850384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.850384 (E_RNA)
where:
Base-Base interactions energy: -669.487
where: short stacking energy: -305.037
Base-Backbone interact. energy: 0.016
local terms energy: -313.378635
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: -97.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -949.203648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.203648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.203648 (E_RNA)
where:
Base-Base interactions energy: -638.664
where: short stacking energy: -282.223
Base-Backbone interact. energy: -1.213
local terms energy: -309.327012
where:
bonds (distance) C4'-P energy: -55.607
bonds (distance) P-C4' energy: -61.141
flat angles C4'-P-C4' energy: -60.734
flat angles P-C4'-P energy: -44.397
tors. eta vs tors. theta energy: -87.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -891.181585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.181585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.181585 (E_RNA)
where:
Base-Base interactions energy: -601.380
where: short stacking energy: -273.551
Base-Backbone interact. energy: -1.582
local terms energy: -288.219867
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -56.531
flat angles P-C4'-P energy: -38.235
tors. eta vs tors. theta energy: -79.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -831.811133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.811133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.811133 (E_RNA)
where:
Base-Base interactions energy: -561.659
where: short stacking energy: -252.507
Base-Backbone interact. energy: -0.883
local terms energy: -269.268559
where:
bonds (distance) C4'-P energy: -51.579
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -58.713
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: -71.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -730.321727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.321727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.321727 (E_RNA)
where:
Base-Base interactions energy: -471.981
where: short stacking energy: -217.643
Base-Backbone interact. energy: -1.350
local terms energy: -256.990532
where:
bonds (distance) C4'-P energy: -36.080
bonds (distance) P-C4' energy: -60.132
flat angles C4'-P-C4' energy: -53.161
flat angles P-C4'-P energy: -40.163
tors. eta vs tors. theta energy: -67.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -672.804733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.804733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.804733 (E_RNA)
where:
Base-Base interactions energy: -428.040
where: short stacking energy: -197.457
Base-Backbone interact. energy: -1.548
local terms energy: -243.216841
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -56.008
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -53.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -468.950544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.950544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.950544 (E_RNA)
where:
Base-Base interactions energy: -292.989
where: short stacking energy: -136.094
Base-Backbone interact. energy: -0.524
local terms energy: -175.437299
where:
bonds (distance) C4'-P energy: -41.313
bonds (distance) P-C4' energy: -46.688
flat angles C4'-P-C4' energy: -45.078
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -434.635588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.635588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.635588 (E_RNA)
where:
Base-Base interactions energy: -230.710
where: short stacking energy: -119.617
Base-Backbone interact. energy: 0.742
local terms energy: -204.667459
where:
bonds (distance) C4'-P energy: -39.108
bonds (distance) P-C4' energy: -62.376
flat angles C4'-P-C4' energy: -46.754
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -384.816710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.816710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.816710 (E_RNA)
where:
Base-Base interactions energy: -220.444
where: short stacking energy: -104.136
Base-Backbone interact. energy: -2.458
local terms energy: -161.914273
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -982.938823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.938823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.938823 (E_RNA)
where:
Base-Base interactions energy: -675.181
where: short stacking energy: -285.691
Base-Backbone interact. energy: -0.726
local terms energy: -307.031852
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -37.307
tors. eta vs tors. theta energy: -92.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -984.242562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.242562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.242562 (E_RNA)
where:
Base-Base interactions energy: -680.692
where: short stacking energy: -292.740
Base-Backbone interact. energy: -1.913
local terms energy: -301.637676
where:
bonds (distance) C4'-P energy: -56.987
bonds (distance) P-C4' energy: -49.180
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -39.684
tors. eta vs tors. theta energy: -91.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -947.468346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.468346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.468346 (E_RNA)
where:
Base-Base interactions energy: -666.696
where: short stacking energy: -287.793
Base-Backbone interact. energy: -0.176
local terms energy: -280.597039
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -85.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -896.491580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.491580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.491580 (E_RNA)
where:
Base-Base interactions energy: -592.424
where: short stacking energy: -255.349
Base-Backbone interact. energy: -2.214
local terms energy: -301.854363
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -58.658
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -86.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -824.822411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.822411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.822411 (E_RNA)
where:
Base-Base interactions energy: -565.851
where: short stacking energy: -245.112
Base-Backbone interact. energy: -1.770
local terms energy: -257.201707
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -45.468
flat angles C4'-P-C4' energy: -53.941
flat angles P-C4'-P energy: -43.497
tors. eta vs tors. theta energy: -64.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -738.925167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.925167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.925167 (E_RNA)
where:
Base-Base interactions energy: -485.428
where: short stacking energy: -215.984
Base-Backbone interact. energy: -1.211
local terms energy: -252.286308
where:
bonds (distance) C4'-P energy: -43.740
bonds (distance) P-C4' energy: -45.888
flat angles C4'-P-C4' energy: -64.576
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -59.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -641.432590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.432590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.432590 (E_RNA)
where:
Base-Base interactions energy: -432.016
where: short stacking energy: -205.226
Base-Backbone interact. energy: 2.088
local terms energy: -211.505038
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -28.426
tors. eta vs tors. theta energy: -52.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -455.621874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.621874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.621874 (E_RNA)
where:
Base-Base interactions energy: -269.161
where: short stacking energy: -133.844
Base-Backbone interact. energy: 0.784
local terms energy: -187.245789
where:
bonds (distance) C4'-P energy: -51.220
bonds (distance) P-C4' energy: -54.877
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -452.227111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.227111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.227111 (E_RNA)
where:
Base-Base interactions energy: -267.774
where: short stacking energy: -143.541
Base-Backbone interact. energy: -2.297
local terms energy: -182.156200
where:
bonds (distance) C4'-P energy: -41.361
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -46.163
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -331.231792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.231792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.231792 (E_RNA)
where:
Base-Base interactions energy: -168.220
where: short stacking energy: -92.773
Base-Backbone interact. energy: 0.920
local terms energy: -163.931489
where:
bonds (distance) C4'-P energy: -41.812
bonds (distance) P-C4' energy: -46.218
flat angles C4'-P-C4' energy: -46.165
flat angles P-C4'-P energy: -30.933
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -985.708084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.708084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.708084 (E_RNA)
where:
Base-Base interactions energy: -680.974
where: short stacking energy: -315.850
Base-Backbone interact. energy: -0.537
local terms energy: -304.196737
where:
bonds (distance) C4'-P energy: -54.695
bonds (distance) P-C4' energy: -49.680
flat angles C4'-P-C4' energy: -64.549
flat angles P-C4'-P energy: -49.770
tors. eta vs tors. theta energy: -85.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -982.324525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.324525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.324525 (E_RNA)
where:
Base-Base interactions energy: -667.584
where: short stacking energy: -284.291
Base-Backbone interact. energy: -1.427
local terms energy: -313.313748
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -54.502
flat angles C4'-P-C4' energy: -63.629
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -91.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -950.314310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.314310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.314310 (E_RNA)
where:
Base-Base interactions energy: -639.817
where: short stacking energy: -274.454
Base-Backbone interact. energy: -0.483
local terms energy: -310.013832
where:
bonds (distance) C4'-P energy: -49.993
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -91.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -908.357336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.357336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.357336 (E_RNA)
where:
Base-Base interactions energy: -607.743
where: short stacking energy: -267.525
Base-Backbone interact. energy: -1.442
local terms energy: -299.172285
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -57.454
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -83.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -842.160720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.160720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.160720 (E_RNA)
where:
Base-Base interactions energy: -560.219
where: short stacking energy: -255.659
Base-Backbone interact. energy: -0.432
local terms energy: -281.510287
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -58.319
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -71.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -742.325662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.325662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.325662 (E_RNA)
where:
Base-Base interactions energy: -493.719
where: short stacking energy: -216.442
Base-Backbone interact. energy: 0.493
local terms energy: -249.099731
where:
bonds (distance) C4'-P energy: -48.448
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -52.053
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -70.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -657.506424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.506424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.506424 (E_RNA)
where:
Base-Base interactions energy: -426.346
where: short stacking energy: -197.803
Base-Backbone interact. energy: -0.274
local terms energy: -230.886066
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -44.511
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -48.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -456.137827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.137827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.137827 (E_RNA)
where:
Base-Base interactions energy: -284.787
where: short stacking energy: -123.453
Base-Backbone interact. energy: 2.613
local terms energy: -173.963475
where:
bonds (distance) C4'-P energy: -46.416
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -36.643
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -359.190168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.190168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.190168 (E_RNA)
where:
Base-Base interactions energy: -199.027
where: short stacking energy: -124.830
Base-Backbone interact. energy: 1.386
local terms energy: -161.549028
where:
bonds (distance) C4'-P energy: -38.990
bonds (distance) P-C4' energy: -49.958
flat angles C4'-P-C4' energy: -46.578
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -418.939551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.939551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.939551 (E_RNA)
where:
Base-Base interactions energy: -258.878
where: short stacking energy: -123.773
Base-Backbone interact. energy: -1.364
local terms energy: -158.697454
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -45.770
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -996.623939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.623939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.623939 (E_RNA)
where:
Base-Base interactions energy: -695.213
where: short stacking energy: -302.869
Base-Backbone interact. energy: 2.812
local terms energy: -304.222557
where:
bonds (distance) C4'-P energy: -56.600
bonds (distance) P-C4' energy: -52.678
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -42.282
tors. eta vs tors. theta energy: -85.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -989.272456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.272456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.272456 (E_RNA)
where:
Base-Base interactions energy: -675.567
where: short stacking energy: -300.083
Base-Backbone interact. energy: -1.496
local terms energy: -312.209144
where:
bonds (distance) C4'-P energy: -57.902
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -65.406
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -98.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -982.089107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.089107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.089107 (E_RNA)
where:
Base-Base interactions energy: -684.898
where: short stacking energy: -301.557
Base-Backbone interact. energy: -1.092
local terms energy: -296.098932
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -62.953
flat angles P-C4'-P energy: -48.260
tors. eta vs tors. theta energy: -86.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -885.874548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.874548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.874548 (E_RNA)
where:
Base-Base interactions energy: -596.445
where: short stacking energy: -262.806
Base-Backbone interact. energy: -1.068
local terms energy: -288.362406
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -67.396
flat angles P-C4'-P energy: -34.550
tors. eta vs tors. theta energy: -74.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -841.413653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.413653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.413653 (E_RNA)
where:
Base-Base interactions energy: -596.647
where: short stacking energy: -244.512
Base-Backbone interact. energy: -0.703
local terms energy: -244.063587
where:
bonds (distance) C4'-P energy: -40.406
bonds (distance) P-C4' energy: -52.571
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -36.768
tors. eta vs tors. theta energy: -59.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -731.142169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.142169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.142169 (E_RNA)
where:
Base-Base interactions energy: -466.687
where: short stacking energy: -210.960
Base-Backbone interact. energy: -1.355
local terms energy: -263.100952
where:
bonds (distance) C4'-P energy: -43.881
bonds (distance) P-C4' energy: -51.085
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -43.691
tors. eta vs tors. theta energy: -66.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -683.500042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.500042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.500042 (E_RNA)
where:
Base-Base interactions energy: -452.032
where: short stacking energy: -219.776
Base-Backbone interact. energy: -1.522
local terms energy: -229.945439
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -59.120
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -56.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -498.393585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.393585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.393585 (E_RNA)
where:
Base-Base interactions energy: -307.605
where: short stacking energy: -146.833
Base-Backbone interact. energy: -1.666
local terms energy: -189.121889
where:
bonds (distance) C4'-P energy: -46.753
bonds (distance) P-C4' energy: -54.430
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -365.038411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.038411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.038411 (E_RNA)
where:
Base-Base interactions energy: -203.658
where: short stacking energy: -117.774
Base-Backbone interact. energy: -1.346
local terms energy: -160.033750
where:
bonds (distance) C4'-P energy: -41.132
bonds (distance) P-C4' energy: -49.858
flat angles C4'-P-C4' energy: -35.651
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -452.706564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.706564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.706564 (E_RNA)
where:
Base-Base interactions energy: -264.782
where: short stacking energy: -150.019
Base-Backbone interact. energy: -1.017
local terms energy: -186.907533
where:
bonds (distance) C4'-P energy: -44.019
bonds (distance) P-C4' energy: -56.091
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -34.653
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -992.630870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.630870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.630870 (E_RNA)
where:
Base-Base interactions energy: -683.426
where: short stacking energy: -308.538
Base-Backbone interact. energy: -0.400
local terms energy: -308.804442
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -59.032
flat angles C4'-P-C4' energy: -63.536
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: -100.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -984.824248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.824248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.824248 (E_RNA)
where:
Base-Base interactions energy: -669.878
where: short stacking energy: -300.401
Base-Backbone interact. energy: -1.754
local terms energy: -313.192409
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -42.925
tors. eta vs tors. theta energy: -91.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -965.383352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.383352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.383352 (E_RNA)
where:
Base-Base interactions energy: -671.426
where: short stacking energy: -300.383
Base-Backbone interact. energy: 0.182
local terms energy: -294.139568
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -52.061
flat angles C4'-P-C4' energy: -66.382
flat angles P-C4'-P energy: -42.803
tors. eta vs tors. theta energy: -83.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -882.522245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.522245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.522245 (E_RNA)
where:
Base-Base interactions energy: -593.364
where: short stacking energy: -264.049
Base-Backbone interact. energy: -1.726
local terms energy: -287.432961
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -55.781
flat angles C4'-P-C4' energy: -62.972
flat angles P-C4'-P energy: -42.955
tors. eta vs tors. theta energy: -77.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -805.040805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.040805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.040805 (E_RNA)
where:
Base-Base interactions energy: -547.260
where: short stacking energy: -241.142
Base-Backbone interact. energy: -0.700
local terms energy: -257.080971
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -70.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -722.743588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.743588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.743588 (E_RNA)
where:
Base-Base interactions energy: -475.805
where: short stacking energy: -223.195
Base-Backbone interact. energy: 3.721
local terms energy: -250.659578
where:
bonds (distance) C4'-P energy: -44.135
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -59.740
flat angles P-C4'-P energy: -36.266
tors. eta vs tors. theta energy: -57.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -681.459303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.459303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.459303 (E_RNA)
where:
Base-Base interactions energy: -442.584
where: short stacking energy: -186.746
Base-Backbone interact. energy: -2.249
local terms energy: -236.626317
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -56.532
flat angles P-C4'-P energy: -32.620
tors. eta vs tors. theta energy: -39.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -476.917908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.917908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.917908 (E_RNA)
where:
Base-Base interactions energy: -293.773
where: short stacking energy: -147.865
Base-Backbone interact. energy: -1.541
local terms energy: -181.603653
where:
bonds (distance) C4'-P energy: -44.778
bonds (distance) P-C4' energy: -37.463
flat angles C4'-P-C4' energy: -45.925
flat angles P-C4'-P energy: -31.556
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -477.146531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.146531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.146531 (E_RNA)
where:
Base-Base interactions energy: -261.820
where: short stacking energy: -127.736
Base-Backbone interact. energy: -0.436
local terms energy: -214.890865
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -37.114
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -338.222247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.222247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.222247 (E_RNA)
where:
Base-Base interactions energy: -183.504
where: short stacking energy: -90.920
Base-Backbone interact. energy: -2.295
local terms energy: -152.423380
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -45.473
flat angles C4'-P-C4' energy: -39.804
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -993.696225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.696225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.696225 (E_RNA)
where:
Base-Base interactions energy: -671.631
where: short stacking energy: -302.097
Base-Backbone interact. energy: -0.884
local terms energy: -321.181080
where:
bonds (distance) C4'-P energy: -55.751
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -66.683
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -91.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1001.896941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.896941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.896941 (E_RNA)
where:
Base-Base interactions energy: -690.517
where: short stacking energy: -318.234
Base-Backbone interact. energy: -1.547
local terms energy: -309.832868
where:
bonds (distance) C4'-P energy: -59.527
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -65.258
flat angles P-C4'-P energy: -35.490
tors. eta vs tors. theta energy: -96.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -950.958250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.958250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.958250 (E_RNA)
where:
Base-Base interactions energy: -651.840
where: short stacking energy: -293.062
Base-Backbone interact. energy: -2.530
local terms energy: -296.588758
where:
bonds (distance) C4'-P energy: -49.251
bonds (distance) P-C4' energy: -59.356
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -32.535
tors. eta vs tors. theta energy: -91.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -889.907803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.907803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.907803 (E_RNA)
where:
Base-Base interactions energy: -591.783
where: short stacking energy: -244.772
Base-Backbone interact. energy: -0.373
local terms energy: -297.751978
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -56.124
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -87.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -793.010763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.010763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.010763 (E_RNA)
where:
Base-Base interactions energy: -520.990
where: short stacking energy: -243.968
Base-Backbone interact. energy: -0.686
local terms energy: -271.334833
where:
bonds (distance) C4'-P energy: -56.565
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -33.680
tors. eta vs tors. theta energy: -66.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -722.320237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.320237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.320237 (E_RNA)
where:
Base-Base interactions energy: -489.515
where: short stacking energy: -208.839
Base-Backbone interact. energy: -1.104
local terms energy: -231.701069
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -56.610
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -54.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -723.778303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.778303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.778303 (E_RNA)
where:
Base-Base interactions energy: -483.218
where: short stacking energy: -214.638
Base-Backbone interact. energy: 0.487
local terms energy: -241.046606
where:
bonds (distance) C4'-P energy: -50.286
bonds (distance) P-C4' energy: -48.380
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -38.731
tors. eta vs tors. theta energy: -56.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -547.632041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.632041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.632041 (E_RNA)
where:
Base-Base interactions energy: -340.213
where: short stacking energy: -174.750
Base-Backbone interact. energy: -1.680
local terms energy: -205.738595
where:
bonds (distance) C4'-P energy: -44.241
bonds (distance) P-C4' energy: -53.067
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -25.700
tors. eta vs tors. theta energy: -36.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -449.621001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.621001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.621001 (E_RNA)
where:
Base-Base interactions energy: -251.977
where: short stacking energy: -120.944
Base-Backbone interact. energy: 0.729
local terms energy: -198.373810
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -46.173
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -324.775912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.775912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.775912 (E_RNA)
where:
Base-Base interactions energy: -172.106
where: short stacking energy: -93.160
Base-Backbone interact. energy: 3.172
local terms energy: -155.841635
where:
bonds (distance) C4'-P energy: -55.519
bonds (distance) P-C4' energy: -49.689
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1000.831404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.831404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.831404 (E_RNA)
where:
Base-Base interactions energy: -686.219
where: short stacking energy: -306.098
Base-Backbone interact. energy: -0.949
local terms energy: -313.662766
where:
bonds (distance) C4'-P energy: -58.667
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -66.253
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -94.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -988.980653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.980653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.980653 (E_RNA)
where:
Base-Base interactions energy: -674.709
where: short stacking energy: -287.483
Base-Backbone interact. energy: -0.154
local terms energy: -314.117943
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -51.842
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -42.774
tors. eta vs tors. theta energy: -91.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -948.155111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.155111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.155111 (E_RNA)
where:
Base-Base interactions energy: -643.820
where: short stacking energy: -293.457
Base-Backbone interact. energy: -1.443
local terms energy: -302.891182
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -46.401
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -46.355
tors. eta vs tors. theta energy: -94.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -859.709721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.709721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.709721 (E_RNA)
where:
Base-Base interactions energy: -579.018
where: short stacking energy: -255.943
Base-Backbone interact. energy: 1.002
local terms energy: -281.693733
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -56.468
flat angles C4'-P-C4' energy: -65.123
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -76.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -801.490183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.490183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.490183 (E_RNA)
where:
Base-Base interactions energy: -551.477
where: short stacking energy: -244.250
Base-Backbone interact. energy: 0.694
local terms energy: -250.707737
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -48.428
flat angles P-C4'-P energy: -28.714
tors. eta vs tors. theta energy: -60.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -759.338676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.338676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.338676 (E_RNA)
where:
Base-Base interactions energy: -524.425
where: short stacking energy: -223.850
Base-Backbone interact. energy: -0.456
local terms energy: -234.457499
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -50.791
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -59.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -693.496598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.496598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.496598 (E_RNA)
where:
Base-Base interactions energy: -475.875
where: short stacking energy: -208.830
Base-Backbone interact. energy: 0.633
local terms energy: -218.254519
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -41.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -525.936047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.936047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.936047 (E_RNA)
where:
Base-Base interactions energy: -329.719
where: short stacking energy: -160.381
Base-Backbone interact. energy: -1.242
local terms energy: -194.974833
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -51.314
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -32.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -495.343294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.343294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.343294 (E_RNA)
where:
Base-Base interactions energy: -304.968
where: short stacking energy: -144.583
Base-Backbone interact. energy: -0.228
local terms energy: -190.147017
where:
bonds (distance) C4'-P energy: -47.690
bonds (distance) P-C4' energy: -44.269
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -37.474
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -320.428834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.428834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.428834 (E_RNA)
where:
Base-Base interactions energy: -153.517
where: short stacking energy: -99.034
Base-Backbone interact. energy: -0.347
local terms energy: -166.564576
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -56.829
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1013.332422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.332422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.332422 (E_RNA)
where:
Base-Base interactions energy: -688.094
where: short stacking energy: -323.044
Base-Backbone interact. energy: -0.784
local terms energy: -324.453765
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -66.248
flat angles C4'-P-C4' energy: -62.174
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -99.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -964.267607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.267607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.267607 (E_RNA)
where:
Base-Base interactions energy: -657.313
where: short stacking energy: -277.328
Base-Backbone interact. energy: 0.104
local terms energy: -307.058480
where:
bonds (distance) C4'-P energy: -62.581
bonds (distance) P-C4' energy: -51.023
flat angles C4'-P-C4' energy: -66.435
flat angles P-C4'-P energy: -40.357
tors. eta vs tors. theta energy: -86.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -961.658213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.658213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.658213 (E_RNA)
where:
Base-Base interactions energy: -672.373
where: short stacking energy: -304.729
Base-Backbone interact. energy: -0.129
local terms energy: -289.156250
where:
bonds (distance) C4'-P energy: -44.396
bonds (distance) P-C4' energy: -55.396
flat angles C4'-P-C4' energy: -66.361
flat angles P-C4'-P energy: -36.443
tors. eta vs tors. theta energy: -86.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -869.814372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.814372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.814372 (E_RNA)
where:
Base-Base interactions energy: -573.598
where: short stacking energy: -244.131
Base-Backbone interact. energy: -0.907
local terms energy: -295.309609
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -64.170
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -75.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -811.595796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.595796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.595796 (E_RNA)
where:
Base-Base interactions energy: -562.555
where: short stacking energy: -238.149
Base-Backbone interact. energy: -0.981
local terms energy: -248.060239
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -48.602
flat angles P-C4'-P energy: -43.225
tors. eta vs tors. theta energy: -56.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -819.862163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.862163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.862163 (E_RNA)
where:
Base-Base interactions energy: -565.021
where: short stacking energy: -245.088
Base-Backbone interact. energy: -1.736
local terms energy: -253.105224
where:
bonds (distance) C4'-P energy: -40.531
bonds (distance) P-C4' energy: -55.983
flat angles C4'-P-C4' energy: -55.286
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -73.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -677.968709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.968709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.968709 (E_RNA)
where:
Base-Base interactions energy: -453.859
where: short stacking energy: -194.009
Base-Backbone interact. energy: -0.935
local terms energy: -223.175175
where:
bonds (distance) C4'-P energy: -40.349
bonds (distance) P-C4' energy: -52.454
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -46.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -531.439864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.439864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.439864 (E_RNA)
where:
Base-Base interactions energy: -359.830
where: short stacking energy: -163.251
Base-Backbone interact. energy: -1.438
local terms energy: -170.171094
where:
bonds (distance) C4'-P energy: -46.843
bonds (distance) P-C4' energy: -46.395
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -458.832770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.832770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.832770 (E_RNA)
where:
Base-Base interactions energy: -265.408
where: short stacking energy: -132.306
Base-Backbone interact. energy: 0.582
local terms energy: -194.007550
where:
bonds (distance) C4'-P energy: -55.204
bonds (distance) P-C4' energy: -43.282
flat angles C4'-P-C4' energy: -51.071
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -294.276248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.276248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.276248 (E_RNA)
where:
Base-Base interactions energy: -143.184
where: short stacking energy: -90.152
Base-Backbone interact. energy: -1.326
local terms energy: -149.766694
where:
bonds (distance) C4'-P energy: -38.032
bonds (distance) P-C4' energy: -45.683
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -992.365441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.365441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.365441 (E_RNA)
where:
Base-Base interactions energy: -676.630
where: short stacking energy: -301.603
Base-Backbone interact. energy: -3.054
local terms energy: -312.681943
where:
bonds (distance) C4'-P energy: -63.904
bonds (distance) P-C4' energy: -52.858
flat angles C4'-P-C4' energy: -61.903
flat angles P-C4'-P energy: -40.969
tors. eta vs tors. theta energy: -93.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -965.667566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.667566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.667566 (E_RNA)
where:
Base-Base interactions energy: -667.712
where: short stacking energy: -294.413
Base-Backbone interact. energy: -2.553
local terms energy: -295.402313
where:
bonds (distance) C4'-P energy: -46.911
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -66.878
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -90.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -962.443782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.443782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.443782 (E_RNA)
where:
Base-Base interactions energy: -667.952
where: short stacking energy: -293.989
Base-Backbone interact. energy: 0.218
local terms energy: -294.709398
where:
bonds (distance) C4'-P energy: -51.911
bonds (distance) P-C4' energy: -50.427
flat angles C4'-P-C4' energy: -62.491
flat angles P-C4'-P energy: -40.077
tors. eta vs tors. theta energy: -89.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -891.692359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.692359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.692359 (E_RNA)
where:
Base-Base interactions energy: -604.467
where: short stacking energy: -271.512
Base-Backbone interact. energy: -0.892
local terms energy: -286.333262
where:
bonds (distance) C4'-P energy: -55.986
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -41.159
tors. eta vs tors. theta energy: -77.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -812.078971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.078971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.078971 (E_RNA)
where:
Base-Base interactions energy: -546.967
where: short stacking energy: -248.754
Base-Backbone interact. energy: -1.091
local terms energy: -264.020908
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -60.640
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -62.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -814.403050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.403050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.403050 (E_RNA)
where:
Base-Base interactions energy: -568.547
where: short stacking energy: -232.681
Base-Backbone interact. energy: -1.088
local terms energy: -244.768220
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -52.910
flat angles P-C4'-P energy: -40.034
tors. eta vs tors. theta energy: -54.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -688.492822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.492822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.492822 (E_RNA)
where:
Base-Base interactions energy: -449.492
where: short stacking energy: -203.309
Base-Backbone interact. energy: 0.607
local terms energy: -239.608405
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -56.670
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -53.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -530.679419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.679419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.679419 (E_RNA)
where:
Base-Base interactions energy: -333.689
where: short stacking energy: -155.201
Base-Backbone interact. energy: -1.457
local terms energy: -195.533156
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -52.919
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -457.265974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.265974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.265974 (E_RNA)
where:
Base-Base interactions energy: -272.866
where: short stacking energy: -131.994
Base-Backbone interact. energy: -1.408
local terms energy: -182.991619
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -300.503995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.503995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.503995 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -87.228
Base-Backbone interact. energy: -0.909
local terms energy: -156.337480
where:
bonds (distance) C4'-P energy: -46.500
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -35.432
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: 3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1003.571666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.571666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.571666 (E_RNA)
where:
Base-Base interactions energy: -672.325
where: short stacking energy: -301.328
Base-Backbone interact. energy: -0.968
local terms energy: -330.278714
where:
bonds (distance) C4'-P energy: -61.095
bonds (distance) P-C4' energy: -63.722
flat angles C4'-P-C4' energy: -60.587
flat angles P-C4'-P energy: -43.965
tors. eta vs tors. theta energy: -100.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -957.400248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.400248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.400248 (E_RNA)
where:
Base-Base interactions energy: -658.446
where: short stacking energy: -292.849
Base-Backbone interact. energy: -0.257
local terms energy: -298.697726
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -59.399
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -89.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -933.645151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.645151 (E_RNA)
where:
Base-Base interactions energy: -638.717
where: short stacking energy: -291.840
Base-Backbone interact. energy: -0.964
local terms energy: -293.964062
where:
bonds (distance) C4'-P energy: -55.282
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -59.640
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -81.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -885.630286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.630286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.630286 (E_RNA)
where:
Base-Base interactions energy: -620.608
where: short stacking energy: -270.798
Base-Backbone interact. energy: -1.171
local terms energy: -263.852117
where:
bonds (distance) C4'-P energy: -41.673
bonds (distance) P-C4' energy: -46.366
flat angles C4'-P-C4' energy: -56.617
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -78.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -836.067648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.067648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.067648 (E_RNA)
where:
Base-Base interactions energy: -560.896
where: short stacking energy: -232.136
Base-Backbone interact. energy: 0.399
local terms energy: -275.571597
where:
bonds (distance) C4'-P energy: -59.529
bonds (distance) P-C4' energy: -62.177
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: -60.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -812.620561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.620561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.620561 (E_RNA)
where:
Base-Base interactions energy: -565.689
where: short stacking energy: -247.157
Base-Backbone interact. energy: -1.306
local terms energy: -245.624639
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -59.425
flat angles P-C4'-P energy: -23.086
tors. eta vs tors. theta energy: -68.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -701.185818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.185818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.185818 (E_RNA)
where:
Base-Base interactions energy: -464.333
where: short stacking energy: -195.283
Base-Backbone interact. energy: 0.278
local terms energy: -237.131053
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -60.004
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -59.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -573.536379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.536379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.536379 (E_RNA)
where:
Base-Base interactions energy: -370.685
where: short stacking energy: -189.636
Base-Backbone interact. energy: 0.253
local terms energy: -203.104114
where:
bonds (distance) C4'-P energy: -41.731
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -37.538
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -51.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -469.377237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.377237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.377237 (E_RNA)
where:
Base-Base interactions energy: -280.262
where: short stacking energy: -129.105
Base-Backbone interact. energy: 1.983
local terms energy: -191.097645
where:
bonds (distance) C4'-P energy: -46.226
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -39.284
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -351.700928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.700928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.700928 (E_RNA)
where:
Base-Base interactions energy: -200.313
where: short stacking energy: -100.487
Base-Backbone interact. energy: 0.962
local terms energy: -152.350732
where:
bonds (distance) C4'-P energy: -35.327
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -996.565967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.565967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.565967 (E_RNA)
where:
Base-Base interactions energy: -689.506
where: short stacking energy: -309.217
Base-Backbone interact. energy: 0.318
local terms energy: -307.378644
where:
bonds (distance) C4'-P energy: -51.233
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -47.312
tors. eta vs tors. theta energy: -97.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -994.389259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.389259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.389259 (E_RNA)
where:
Base-Base interactions energy: -693.443
where: short stacking energy: -313.145
Base-Backbone interact. energy: -0.610
local terms energy: -300.335827
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -48.880
flat angles C4'-P-C4' energy: -60.048
flat angles P-C4'-P energy: -47.567
tors. eta vs tors. theta energy: -100.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -907.683221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.683221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.683221 (E_RNA)
where:
Base-Base interactions energy: -622.639
where: short stacking energy: -272.272
Base-Backbone interact. energy: -0.422
local terms energy: -284.621824
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -66.115
flat angles P-C4'-P energy: -33.405
tors. eta vs tors. theta energy: -87.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -914.181869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.181869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.181869 (E_RNA)
where:
Base-Base interactions energy: -622.369
where: short stacking energy: -282.926
Base-Backbone interact. energy: -1.590
local terms energy: -290.223228
where:
bonds (distance) C4'-P energy: -53.606
bonds (distance) P-C4' energy: -54.737
flat angles C4'-P-C4' energy: -69.692
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: -82.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -814.774771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.774771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.774771 (E_RNA)
where:
Base-Base interactions energy: -551.461
where: short stacking energy: -253.910
Base-Backbone interact. energy: -0.361
local terms energy: -262.952957
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -37.768
tors. eta vs tors. theta energy: -73.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -819.161707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.161707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.161707 (E_RNA)
where:
Base-Base interactions energy: -552.063
where: short stacking energy: -238.048
Base-Backbone interact. energy: -0.801
local terms energy: -266.297464
where:
bonds (distance) C4'-P energy: -54.788
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -53.260
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -64.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -726.167458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.167458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.167458 (E_RNA)
where:
Base-Base interactions energy: -485.551
where: short stacking energy: -213.935
Base-Backbone interact. energy: -1.776
local terms energy: -238.839860
where:
bonds (distance) C4'-P energy: -47.157
bonds (distance) P-C4' energy: -45.937
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -56.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -572.111459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.111459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.111459 (E_RNA)
where:
Base-Base interactions energy: -358.133
where: short stacking energy: -162.354
Base-Backbone interact. energy: 0.441
local terms energy: -214.419613
where:
bonds (distance) C4'-P energy: -60.366
bonds (distance) P-C4' energy: -32.840
flat angles C4'-P-C4' energy: -52.152
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -35.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -460.540831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.540831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.540831 (E_RNA)
where:
Base-Base interactions energy: -276.635
where: short stacking energy: -135.885
Base-Backbone interact. energy: -1.543
local terms energy: -182.362492
where:
bonds (distance) C4'-P energy: -34.308
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -341.109374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.109374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.109374 (E_RNA)
where:
Base-Base interactions energy: -187.047
where: short stacking energy: -106.958
Base-Backbone interact. energy: 1.620
local terms energy: -155.681801
where:
bonds (distance) C4'-P energy: -38.698
bonds (distance) P-C4' energy: -50.964
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -996.576277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.576277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.576277 (E_RNA)
where:
Base-Base interactions energy: -669.802
where: short stacking energy: -292.453
Base-Backbone interact. energy: -1.295
local terms energy: -325.479515
where:
bonds (distance) C4'-P energy: -59.457
bonds (distance) P-C4' energy: -59.425
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -47.307
tors. eta vs tors. theta energy: -96.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -991.702071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.702071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.702071 (E_RNA)
where:
Base-Base interactions energy: -668.541
where: short stacking energy: -319.648
Base-Backbone interact. energy: -0.552
local terms energy: -322.609588
where:
bonds (distance) C4'-P energy: -56.831
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -66.891
flat angles P-C4'-P energy: -45.245
tors. eta vs tors. theta energy: -96.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -916.277752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.277752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.277752 (E_RNA)
where:
Base-Base interactions energy: -636.870
where: short stacking energy: -276.779
Base-Backbone interact. energy: -0.660
local terms energy: -278.747541
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -78.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -900.134153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.134153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.134153 (E_RNA)
where:
Base-Base interactions energy: -623.745
where: short stacking energy: -282.477
Base-Backbone interact. energy: -1.471
local terms energy: -274.917997
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -64.920
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -82.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -806.503998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.503998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.503998 (E_RNA)
where:
Base-Base interactions energy: -548.379
where: short stacking energy: -255.983
Base-Backbone interact. energy: 0.302
local terms energy: -258.427305
where:
bonds (distance) C4'-P energy: -40.866
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -41.171
tors. eta vs tors. theta energy: -73.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -838.213884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.213884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.213884 (E_RNA)
where:
Base-Base interactions energy: -591.596
where: short stacking energy: -261.935
Base-Backbone interact. energy: 2.104
local terms energy: -248.722108
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -59.984
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -75.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -717.113248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.113248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.113248 (E_RNA)
where:
Base-Base interactions energy: -483.423
where: short stacking energy: -210.217
Base-Backbone interact. energy: 3.026
local terms energy: -236.716254
where:
bonds (distance) C4'-P energy: -52.259
bonds (distance) P-C4' energy: -46.888
flat angles C4'-P-C4' energy: -47.940
flat angles P-C4'-P energy: -38.387
tors. eta vs tors. theta energy: -51.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -576.391463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.391463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.391463 (E_RNA)
where:
Base-Base interactions energy: -371.756
where: short stacking energy: -166.192
Base-Backbone interact. energy: -0.080
local terms energy: -204.555467
where:
bonds (distance) C4'-P energy: -40.925
bonds (distance) P-C4' energy: -46.116
flat angles C4'-P-C4' energy: -52.917
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -466.118651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.118651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.118651 (E_RNA)
where:
Base-Base interactions energy: -280.389
where: short stacking energy: -130.038
Base-Backbone interact. energy: -2.336
local terms energy: -183.393467
where:
bonds (distance) C4'-P energy: -39.257
bonds (distance) P-C4' energy: -53.416
flat angles C4'-P-C4' energy: -41.634
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -360.114034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.114034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.114034 (E_RNA)
where:
Base-Base interactions energy: -180.065
where: short stacking energy: -94.623
Base-Backbone interact. energy: -2.303
local terms energy: -177.746724
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -59.189
flat angles C4'-P-C4' energy: -41.046
flat angles P-C4'-P energy: -30.212
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -989.700424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.700424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.700424 (E_RNA)
where:
Base-Base interactions energy: -683.553
where: short stacking energy: -308.284
Base-Backbone interact. energy: 0.497
local terms energy: -306.644828
where:
bonds (distance) C4'-P energy: -51.579
bonds (distance) P-C4' energy: -54.776
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -47.231
tors. eta vs tors. theta energy: -92.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -995.392163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.392163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.392163 (E_RNA)
where:
Base-Base interactions energy: -691.415
where: short stacking energy: -298.247
Base-Backbone interact. energy: 0.097
local terms energy: -304.073949
where:
bonds (distance) C4'-P energy: -53.454
bonds (distance) P-C4' energy: -55.350
flat angles C4'-P-C4' energy: -57.832
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -93.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -966.862572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.862572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.862572 (E_RNA)
where:
Base-Base interactions energy: -671.087
where: short stacking energy: -284.104
Base-Backbone interact. energy: -1.310
local terms energy: -294.465333
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -47.844
flat angles C4'-P-C4' energy: -65.728
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -79.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -903.264014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.264014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.264014 (E_RNA)
where:
Base-Base interactions energy: -636.383
where: short stacking energy: -282.539
Base-Backbone interact. energy: -0.853
local terms energy: -266.027721
where:
bonds (distance) C4'-P energy: -48.325
bonds (distance) P-C4' energy: -47.995
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -79.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -853.611352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.611352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.611352 (E_RNA)
where:
Base-Base interactions energy: -577.590
where: short stacking energy: -275.064
Base-Backbone interact. energy: -0.307
local terms energy: -275.714656
where:
bonds (distance) C4'-P energy: -44.551
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -63.444
flat angles P-C4'-P energy: -41.903
tors. eta vs tors. theta energy: -77.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -778.397935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.397935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.397935 (E_RNA)
where:
Base-Base interactions energy: -518.802
where: short stacking energy: -240.332
Base-Backbone interact. energy: -1.037
local terms energy: -258.559431
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: -65.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -692.971093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.971093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.971093 (E_RNA)
where:
Base-Base interactions energy: -461.486
where: short stacking energy: -199.558
Base-Backbone interact. energy: 0.478
local terms energy: -231.962946
where:
bonds (distance) C4'-P energy: -36.444
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -55.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -496.752816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.752816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.752816 (E_RNA)
where:
Base-Base interactions energy: -290.900
where: short stacking energy: -138.536
Base-Backbone interact. energy: -0.121
local terms energy: -205.731400
where:
bonds (distance) C4'-P energy: -53.525
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -44.797
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -25.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -466.757516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.757516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.757516 (E_RNA)
where:
Base-Base interactions energy: -270.178
where: short stacking energy: -142.672
Base-Backbone interact. energy: -0.173
local terms energy: -196.406051
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -36.018
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -342.600969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.600969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.600969 (E_RNA)
where:
Base-Base interactions energy: -175.909
where: short stacking energy: -87.099
Base-Backbone interact. energy: 2.952
local terms energy: -169.644186
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -58.200
flat angles C4'-P-C4' energy: -37.747
flat angles P-C4'-P energy: -27.166
tors. eta vs tors. theta energy: -1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -984.319027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.319027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.319027 (E_RNA)
where:
Base-Base interactions energy: -681.120
where: short stacking energy: -301.124
Base-Backbone interact. energy: -1.371
local terms energy: -301.828093
where:
bonds (distance) C4'-P energy: -51.775
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -64.201
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -91.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -990.669768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.669768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.669768 (E_RNA)
where:
Base-Base interactions energy: -681.892
where: short stacking energy: -309.352
Base-Backbone interact. energy: -1.575
local terms energy: -307.202675
where:
bonds (distance) C4'-P energy: -55.346
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -65.971
flat angles P-C4'-P energy: -44.696
tors. eta vs tors. theta energy: -93.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -971.841528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.841528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.841528 (E_RNA)
where:
Base-Base interactions energy: -654.410
where: short stacking energy: -274.709
Base-Backbone interact. energy: -0.936
local terms energy: -316.495791
where:
bonds (distance) C4'-P energy: -63.763
bonds (distance) P-C4' energy: -56.821
flat angles C4'-P-C4' energy: -58.754
flat angles P-C4'-P energy: -45.213
tors. eta vs tors. theta energy: -91.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -887.739727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.739727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.739727 (E_RNA)
where:
Base-Base interactions energy: -624.408
where: short stacking energy: -265.668
Base-Backbone interact. energy: 0.390
local terms energy: -263.722510
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -49.534
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -83.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -827.852292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.852292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.852292 (E_RNA)
where:
Base-Base interactions energy: -561.529
where: short stacking energy: -241.598
Base-Backbone interact. energy: -2.374
local terms energy: -263.948835
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -50.358
flat angles C4'-P-C4' energy: -63.867
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -66.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -775.129536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.129536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.129536 (E_RNA)
where:
Base-Base interactions energy: -528.242
where: short stacking energy: -223.590
Base-Backbone interact. energy: -3.527
local terms energy: -243.360313
where:
bonds (distance) C4'-P energy: -36.181
bonds (distance) P-C4' energy: -47.558
flat angles C4'-P-C4' energy: -59.532
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -64.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -711.110598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.110598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.110598 (E_RNA)
where:
Base-Base interactions energy: -459.331
where: short stacking energy: -200.342
Base-Backbone interact. energy: 4.334
local terms energy: -256.114304
where:
bonds (distance) C4'-P energy: -57.470
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -57.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -469.501619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.501619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.501619 (E_RNA)
where:
Base-Base interactions energy: -273.742
where: short stacking energy: -144.602
Base-Backbone interact. energy: 0.901
local terms energy: -196.660002
where:
bonds (distance) C4'-P energy: -50.097
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -47.915
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -465.435050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.435050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.435050 (E_RNA)
where:
Base-Base interactions energy: -285.091
where: short stacking energy: -131.686
Base-Backbone interact. energy: -1.275
local terms energy: -179.069249
where:
bonds (distance) C4'-P energy: -43.219
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -361.194404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.194404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.194404 (E_RNA)
where:
Base-Base interactions energy: -196.411
where: short stacking energy: -110.960
Base-Backbone interact. energy: -0.794
local terms energy: -163.989202
where:
bonds (distance) C4'-P energy: -43.772
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1013.838586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.838586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.838586 (E_RNA)
where:
Base-Base interactions energy: -689.774
where: short stacking energy: -306.301
Base-Backbone interact. energy: -0.607
local terms energy: -323.457703
where:
bonds (distance) C4'-P energy: -61.419
bonds (distance) P-C4' energy: -58.759
flat angles C4'-P-C4' energy: -60.677
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: -95.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -975.761312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.761312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.761312 (E_RNA)
where:
Base-Base interactions energy: -662.290
where: short stacking energy: -291.771
Base-Backbone interact. energy: 0.231
local terms energy: -313.702126
where:
bonds (distance) C4'-P energy: -55.708
bonds (distance) P-C4' energy: -59.235
flat angles C4'-P-C4' energy: -64.860
flat angles P-C4'-P energy: -46.331
tors. eta vs tors. theta energy: -87.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -968.342723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.342723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.342723 (E_RNA)
where:
Base-Base interactions energy: -669.395
where: short stacking energy: -286.668
Base-Backbone interact. energy: -2.073
local terms energy: -296.874594
where:
bonds (distance) C4'-P energy: -51.797
bonds (distance) P-C4' energy: -57.045
flat angles C4'-P-C4' energy: -59.154
flat angles P-C4'-P energy: -41.100
tors. eta vs tors. theta energy: -87.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -896.839865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.839865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.839865 (E_RNA)
where:
Base-Base interactions energy: -612.516
where: short stacking energy: -267.455
Base-Backbone interact. energy: -2.126
local terms energy: -282.197696
where:
bonds (distance) C4'-P energy: -49.543
bonds (distance) P-C4' energy: -57.966
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -85.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -797.800095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.800095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.800095 (E_RNA)
where:
Base-Base interactions energy: -534.460
where: short stacking energy: -237.152
Base-Backbone interact. energy: 0.449
local terms energy: -263.789099
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -57.665
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -66.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -748.260755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.260755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.260755 (E_RNA)
where:
Base-Base interactions energy: -498.256
where: short stacking energy: -223.060
Base-Backbone interact. energy: -2.076
local terms energy: -247.929042
where:
bonds (distance) C4'-P energy: -46.777
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -60.461
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -66.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -687.265082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.265082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.265082 (E_RNA)
where:
Base-Base interactions energy: -466.805
where: short stacking energy: -185.616
Base-Backbone interact. energy: -1.187
local terms energy: -219.272781
where:
bonds (distance) C4'-P energy: -41.249
bonds (distance) P-C4' energy: -44.770
flat angles C4'-P-C4' energy: -45.598
flat angles P-C4'-P energy: -35.410
tors. eta vs tors. theta energy: -52.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -466.929700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.929700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.929700 (E_RNA)
where:
Base-Base interactions energy: -269.686
where: short stacking energy: -138.581
Base-Backbone interact. energy: 2.877
local terms energy: -200.120983
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -44.554
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -488.922590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.922590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.922590 (E_RNA)
where:
Base-Base interactions energy: -292.313
where: short stacking energy: -128.461
Base-Backbone interact. energy: -0.993
local terms energy: -195.616912
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -51.176
flat angles C4'-P-C4' energy: -50.474
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -333.369860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.369860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.369860 (E_RNA)
where:
Base-Base interactions energy: -170.085
where: short stacking energy: -94.826
Base-Backbone interact. energy: -0.844
local terms energy: -162.440162
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -38.202
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1010.419776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.419776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.419776 (E_RNA)
where:
Base-Base interactions energy: -705.742
where: short stacking energy: -305.918
Base-Backbone interact. energy: -1.074
local terms energy: -303.603164
where:
bonds (distance) C4'-P energy: -45.170
bonds (distance) P-C4' energy: -48.869
flat angles C4'-P-C4' energy: -65.937
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -93.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -975.601336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.601336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.601336 (E_RNA)
where:
Base-Base interactions energy: -680.182
where: short stacking energy: -316.417
Base-Backbone interact. energy: 1.903
local terms energy: -297.322292
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -66.194
flat angles P-C4'-P energy: -38.291
tors. eta vs tors. theta energy: -94.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -969.547186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.547186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.547186 (E_RNA)
where:
Base-Base interactions energy: -678.430
where: short stacking energy: -282.104
Base-Backbone interact. energy: -1.179
local terms energy: -289.937545
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -55.165
flat angles C4'-P-C4' energy: -69.043
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -81.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -861.447906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.447906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.447906 (E_RNA)
where:
Base-Base interactions energy: -585.406
where: short stacking energy: -251.964
Base-Backbone interact. energy: -0.288
local terms energy: -275.753626
where:
bonds (distance) C4'-P energy: -59.230
bonds (distance) P-C4' energy: -54.430
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -65.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -794.936367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.936367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.936367 (E_RNA)
where:
Base-Base interactions energy: -544.753
where: short stacking energy: -246.903
Base-Backbone interact. energy: -0.932
local terms energy: -249.251747
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -54.541
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -65.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -812.400654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.400654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.400654 (E_RNA)
where:
Base-Base interactions energy: -545.900
where: short stacking energy: -234.516
Base-Backbone interact. energy: 1.131
local terms energy: -267.632329
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -74.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -707.384566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.384566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.384566 (E_RNA)
where:
Base-Base interactions energy: -465.094
where: short stacking energy: -214.271
Base-Backbone interact. energy: -1.557
local terms energy: -240.733753
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -46.222
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -63.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -455.148056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.148056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.148056 (E_RNA)
where:
Base-Base interactions energy: -249.537
where: short stacking energy: -117.516
Base-Backbone interact. energy: -0.642
local terms energy: -204.969132
where:
bonds (distance) C4'-P energy: -54.749
bonds (distance) P-C4' energy: -58.632
flat angles C4'-P-C4' energy: -44.949
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -463.509294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.509294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.509294 (E_RNA)
where:
Base-Base interactions energy: -283.726
where: short stacking energy: -138.292
Base-Backbone interact. energy: 1.058
local terms energy: -180.842024
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -45.395
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -356.155088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.155088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.155088 (E_RNA)
where:
Base-Base interactions energy: -194.581
where: short stacking energy: -84.878
Base-Backbone interact. energy: -1.676
local terms energy: -159.898449
where:
bonds (distance) C4'-P energy: -48.083
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: 6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1003.067450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.067450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.067450 (E_RNA)
where:
Base-Base interactions energy: -681.913
where: short stacking energy: -303.132
Base-Backbone interact. energy: -1.126
local terms energy: -320.028507
where:
bonds (distance) C4'-P energy: -60.319
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -68.514
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -95.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -972.218189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.218189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.218189 (E_RNA)
where:
Base-Base interactions energy: -673.641
where: short stacking energy: -293.600
Base-Backbone interact. energy: -0.431
local terms energy: -298.145332
where:
bonds (distance) C4'-P energy: -54.772
bonds (distance) P-C4' energy: -50.197
flat angles C4'-P-C4' energy: -60.170
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -95.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -942.852086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.852086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.852086 (E_RNA)
where:
Base-Base interactions energy: -660.824
where: short stacking energy: -275.457
Base-Backbone interact. energy: -1.830
local terms energy: -280.198348
where:
bonds (distance) C4'-P energy: -52.421
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -57.042
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -84.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -890.821018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.821018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.821018 (E_RNA)
where:
Base-Base interactions energy: -615.382
where: short stacking energy: -256.771
Base-Backbone interact. energy: -1.594
local terms energy: -273.844333
where:
bonds (distance) C4'-P energy: -54.166
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -52.985
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -809.791693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.791693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.791693 (E_RNA)
where:
Base-Base interactions energy: -543.887
where: short stacking energy: -246.176
Base-Backbone interact. energy: 1.331
local terms energy: -267.235710
where:
bonds (distance) C4'-P energy: -46.443
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -57.954
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -65.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -800.811367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.811367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.811367 (E_RNA)
where:
Base-Base interactions energy: -545.345
where: short stacking energy: -241.204
Base-Backbone interact. energy: -0.855
local terms energy: -254.611383
where:
bonds (distance) C4'-P energy: -50.922
bonds (distance) P-C4' energy: -46.175
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -64.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -662.715974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.715974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.715974 (E_RNA)
where:
Base-Base interactions energy: -409.694
where: short stacking energy: -171.614
Base-Backbone interact. energy: -0.020
local terms energy: -253.002618
where:
bonds (distance) C4'-P energy: -55.895
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -46.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -479.669821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.669821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.669821 (E_RNA)
where:
Base-Base interactions energy: -291.962
where: short stacking energy: -126.442
Base-Backbone interact. energy: -0.244
local terms energy: -187.463699
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -49.129
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -472.290307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.290307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.290307 (E_RNA)
where:
Base-Base interactions energy: -268.914
where: short stacking energy: -135.798
Base-Backbone interact. energy: 0.770
local terms energy: -204.146083
where:
bonds (distance) C4'-P energy: -55.345
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -53.436
flat angles P-C4'-P energy: -38.466
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -381.211304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.211304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.211304 (E_RNA)
where:
Base-Base interactions energy: -189.969
where: short stacking energy: -102.714
Base-Backbone interact. energy: 0.149
local terms energy: -191.391797
where:
bonds (distance) C4'-P energy: -55.193
bonds (distance) P-C4' energy: -47.312
flat angles C4'-P-C4' energy: -37.950
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -999.773156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.773156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.773156 (E_RNA)
where:
Base-Base interactions energy: -672.053
where: short stacking energy: -306.369
Base-Backbone interact. energy: -0.693
local terms energy: -327.027284
where:
bonds (distance) C4'-P energy: -57.566
bonds (distance) P-C4' energy: -52.878
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -97.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -979.487226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.487226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.487226 (E_RNA)
where:
Base-Base interactions energy: -679.848
where: short stacking energy: -270.510
Base-Backbone interact. energy: -2.146
local terms energy: -297.492433
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -63.378
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -84.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -944.982458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.982458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.982458 (E_RNA)
where:
Base-Base interactions energy: -642.509
where: short stacking energy: -288.019
Base-Backbone interact. energy: -0.669
local terms energy: -301.804577
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -54.334
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -42.995
tors. eta vs tors. theta energy: -92.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -897.576777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.576777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.576777 (E_RNA)
where:
Base-Base interactions energy: -604.181
where: short stacking energy: -263.461
Base-Backbone interact. energy: 1.211
local terms energy: -294.606677
where:
bonds (distance) C4'-P energy: -58.678
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -44.996
tors. eta vs tors. theta energy: -75.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -847.523587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.523587 (E_RNA)
where:
Base-Base interactions energy: -565.764
where: short stacking energy: -270.325
Base-Backbone interact. energy: 1.933
local terms energy: -283.693475
where:
bonds (distance) C4'-P energy: -45.133
bonds (distance) P-C4' energy: -50.228
flat angles C4'-P-C4' energy: -63.853
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: -78.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -779.065596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.065596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.065596 (E_RNA)
where:
Base-Base interactions energy: -531.686
where: short stacking energy: -230.933
Base-Backbone interact. energy: -0.865
local terms energy: -246.514172
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -44.332
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -56.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -654.369756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.369756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.369756 (E_RNA)
where:
Base-Base interactions energy: -420.432
where: short stacking energy: -194.053
Base-Backbone interact. energy: 3.660
local terms energy: -237.598358
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -52.355
flat angles C4'-P-C4' energy: -55.943
flat angles P-C4'-P energy: -42.407
tors. eta vs tors. theta energy: -43.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -486.494165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.494165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.494165 (E_RNA)
where:
Base-Base interactions energy: -278.285
where: short stacking energy: -140.874
Base-Backbone interact. energy: -0.936
local terms energy: -207.273596
where:
bonds (distance) C4'-P energy: -54.775
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -29.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -455.662480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.662480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.662480 (E_RNA)
where:
Base-Base interactions energy: -277.229
where: short stacking energy: -121.219
Base-Backbone interact. energy: -1.736
local terms energy: -176.697630
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -32.185
tors. eta vs tors. theta energy: -9.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -376.119160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.119160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.119160 (E_RNA)
where:
Base-Base interactions energy: -207.593
where: short stacking energy: -110.344
Base-Backbone interact. energy: 2.179
local terms energy: -170.705053
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -54.540
flat angles C4'-P-C4' energy: -47.200
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1009.420689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.420689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.420689 (E_RNA)
where:
Base-Base interactions energy: -691.783
where: short stacking energy: -303.660
Base-Backbone interact. energy: 0.336
local terms energy: -317.974633
where:
bonds (distance) C4'-P energy: -45.574
bonds (distance) P-C4' energy: -61.153
flat angles C4'-P-C4' energy: -68.097
flat angles P-C4'-P energy: -48.849
tors. eta vs tors. theta energy: -94.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -973.225263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.225263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.225263 (E_RNA)
where:
Base-Base interactions energy: -673.254
where: short stacking energy: -272.195
Base-Backbone interact. energy: -1.304
local terms energy: -298.666866
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -63.161
flat angles P-C4'-P energy: -40.037
tors. eta vs tors. theta energy: -86.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -959.831864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.831864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.831864 (E_RNA)
where:
Base-Base interactions energy: -659.767
where: short stacking energy: -286.570
Base-Backbone interact. energy: -1.265
local terms energy: -298.799971
where:
bonds (distance) C4'-P energy: -49.072
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -60.576
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -94.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -898.853748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.853748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.853748 (E_RNA)
where:
Base-Base interactions energy: -623.298
where: short stacking energy: -261.284
Base-Backbone interact. energy: -2.825
local terms energy: -272.730281
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -58.063
flat angles C4'-P-C4' energy: -58.729
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -78.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -836.677168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.677168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.677168 (E_RNA)
where:
Base-Base interactions energy: -564.048
where: short stacking energy: -255.346
Base-Backbone interact. energy: -0.392
local terms energy: -272.236778
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -73.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -794.968215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.968215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.968215 (E_RNA)
where:
Base-Base interactions energy: -515.002
where: short stacking energy: -233.057
Base-Backbone interact. energy: -1.211
local terms energy: -278.754996
where:
bonds (distance) C4'-P energy: -55.267
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -59.661
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: -67.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -657.989977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.989977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.989977 (E_RNA)
where:
Base-Base interactions energy: -434.890
where: short stacking energy: -200.121
Base-Backbone interact. energy: -1.717
local terms energy: -221.383207
where:
bonds (distance) C4'-P energy: -46.340
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -53.954
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -36.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -493.432938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.432938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.432938 (E_RNA)
where:
Base-Base interactions energy: -298.668
where: short stacking energy: -135.758
Base-Backbone interact. energy: -1.260
local terms energy: -193.504975
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -43.656
flat angles C4'-P-C4' energy: -48.148
flat angles P-C4'-P energy: -43.890
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -424.999537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.999537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.999537 (E_RNA)
where:
Base-Base interactions energy: -239.564
where: short stacking energy: -123.507
Base-Backbone interact. energy: -0.892
local terms energy: -184.543667
where:
bonds (distance) C4'-P energy: -41.792
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -45.172
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -415.455161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.455161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.455161 (E_RNA)
where:
Base-Base interactions energy: -240.810
where: short stacking energy: -134.088
Base-Backbone interact. energy: -0.951
local terms energy: -173.693428
where:
bonds (distance) C4'-P energy: -47.410
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -34.294
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1010.056189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.056189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.056189 (E_RNA)
where:
Base-Base interactions energy: -705.897
where: short stacking energy: -314.823
Base-Backbone interact. energy: 0.679
local terms energy: -304.837955
where:
bonds (distance) C4'-P energy: -49.755
bonds (distance) P-C4' energy: -60.680
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: -96.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -979.698527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.698527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.698527 (E_RNA)
where:
Base-Base interactions energy: -676.883
where: short stacking energy: -278.037
Base-Backbone interact. energy: -1.671
local terms energy: -301.144381
where:
bonds (distance) C4'-P energy: -55.040
bonds (distance) P-C4' energy: -58.996
flat angles C4'-P-C4' energy: -59.279
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -87.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -955.028942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.028942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.028942 (E_RNA)
where:
Base-Base interactions energy: -655.105
where: short stacking energy: -303.963
Base-Backbone interact. energy: -1.685
local terms energy: -298.238826
where:
bonds (distance) C4'-P energy: -49.212
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -62.658
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: -100.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -880.999007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.999007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.999007 (E_RNA)
where:
Base-Base interactions energy: -596.131
where: short stacking energy: -260.279
Base-Backbone interact. energy: -3.681
local terms energy: -281.187032
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -53.899
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -78.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -812.976634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.976634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.976634 (E_RNA)
where:
Base-Base interactions energy: -565.319
where: short stacking energy: -256.608
Base-Backbone interact. energy: 9.193
local terms energy: -256.850978
where:
bonds (distance) C4'-P energy: -45.151
bonds (distance) P-C4' energy: -61.788
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -32.243
tors. eta vs tors. theta energy: -60.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -823.497776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.497776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.497776 (E_RNA)
where:
Base-Base interactions energy: -559.275
where: short stacking energy: -257.829
Base-Backbone interact. energy: -0.615
local terms energy: -263.607222
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -48.186
flat angles C4'-P-C4' energy: -62.962
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -66.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -704.323555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.323555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.323555 (E_RNA)
where:
Base-Base interactions energy: -472.365
where: short stacking energy: -210.607
Base-Backbone interact. energy: 0.076
local terms energy: -232.034353
where:
bonds (distance) C4'-P energy: -53.397
bonds (distance) P-C4' energy: -30.866
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -40.356
tors. eta vs tors. theta energy: -55.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -516.903300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.903300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.903300 (E_RNA)
where:
Base-Base interactions energy: -325.764
where: short stacking energy: -163.001
Base-Backbone interact. energy: -1.514
local terms energy: -189.624580
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -49.410
flat angles C4'-P-C4' energy: -46.174
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -410.304973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.304973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.304973 (E_RNA)
where:
Base-Base interactions energy: -241.319
where: short stacking energy: -106.429
Base-Backbone interact. energy: -0.149
local terms energy: -168.836543
where:
bonds (distance) C4'-P energy: -47.852
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -43.992
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -433.454639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.454639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.454639 (E_RNA)
where:
Base-Base interactions energy: -259.526
where: short stacking energy: -129.937
Base-Backbone interact. energy: -0.636
local terms energy: -173.292920
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -40.376
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1006.761398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.761398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.761398 (E_RNA)
where:
Base-Base interactions energy: -682.737
where: short stacking energy: -301.859
Base-Backbone interact. energy: -1.882
local terms energy: -322.142729
where:
bonds (distance) C4'-P energy: -59.418
bonds (distance) P-C4' energy: -62.579
flat angles C4'-P-C4' energy: -55.908
flat angles P-C4'-P energy: -47.358
tors. eta vs tors. theta energy: -96.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -982.058487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.058487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.058487 (E_RNA)
where:
Base-Base interactions energy: -691.177
where: short stacking energy: -288.797
Base-Backbone interact. energy: -0.745
local terms energy: -290.136277
where:
bonds (distance) C4'-P energy: -42.298
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -63.023
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -85.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -944.763091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.763091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.763091 (E_RNA)
where:
Base-Base interactions energy: -658.963
where: short stacking energy: -289.135
Base-Backbone interact. energy: 3.218
local terms energy: -289.018421
where:
bonds (distance) C4'-P energy: -43.021
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -64.060
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -88.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -871.486400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.486400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.486400 (E_RNA)
where:
Base-Base interactions energy: -601.420
where: short stacking energy: -261.421
Base-Backbone interact. energy: -1.067
local terms energy: -268.999734
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -40.127
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: -76.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -850.190761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.190761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.190761 (E_RNA)
where:
Base-Base interactions energy: -581.109
where: short stacking energy: -257.532
Base-Backbone interact. energy: -0.298
local terms energy: -268.783824
where:
bonds (distance) C4'-P energy: -53.946
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -52.660
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -71.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -786.010973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.010973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.010973 (E_RNA)
where:
Base-Base interactions energy: -532.795
where: short stacking energy: -247.681
Base-Backbone interact. energy: -0.666
local terms energy: -252.550357
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -51.501
flat angles P-C4'-P energy: -43.185
tors. eta vs tors. theta energy: -66.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -705.939252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.939252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.939252 (E_RNA)
where:
Base-Base interactions energy: -462.832
where: short stacking energy: -201.097
Base-Backbone interact. energy: -1.689
local terms energy: -241.418827
where:
bonds (distance) C4'-P energy: -47.357
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -50.298
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -52.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -499.103348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.103348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.103348 (E_RNA)
where:
Base-Base interactions energy: -300.856
where: short stacking energy: -153.817
Base-Backbone interact. energy: 2.440
local terms energy: -200.686928
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -57.951
flat angles C4'-P-C4' energy: -39.940
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -32.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -457.718551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.718551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.718551 (E_RNA)
where:
Base-Base interactions energy: -246.261
where: short stacking energy: -115.289
Base-Backbone interact. energy: -1.303
local terms energy: -210.155202
where:
bonds (distance) C4'-P energy: -58.361
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -33.374
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -378.415490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.415490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.415490 (E_RNA)
where:
Base-Base interactions energy: -193.341
where: short stacking energy: -111.659
Base-Backbone interact. energy: 1.942
local terms energy: -187.016344
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1010.372156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.372156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.372156 (E_RNA)
where:
Base-Base interactions energy: -680.922
where: short stacking energy: -299.275
Base-Backbone interact. energy: -0.630
local terms energy: -328.820727
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -59.626
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -47.114
tors. eta vs tors. theta energy: -96.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -957.521374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.521374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.521374 (E_RNA)
where:
Base-Base interactions energy: -663.035
where: short stacking energy: -279.110
Base-Backbone interact. energy: 0.087
local terms energy: -294.573382
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -43.609
tors. eta vs tors. theta energy: -85.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -939.669405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.669405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.669405 (E_RNA)
where:
Base-Base interactions energy: -629.882
where: short stacking energy: -284.846
Base-Backbone interact. energy: -0.649
local terms energy: -309.138224
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -44.548
tors. eta vs tors. theta energy: -90.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -886.380414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.380414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.380414 (E_RNA)
where:
Base-Base interactions energy: -599.501
where: short stacking energy: -273.774
Base-Backbone interact. energy: -0.341
local terms energy: -286.538366
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -58.940
flat angles C4'-P-C4' energy: -56.055
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -845.475367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.475367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.475367 (E_RNA)
where:
Base-Base interactions energy: -571.773
where: short stacking energy: -258.935
Base-Backbone interact. energy: -1.300
local terms energy: -272.402293
where:
bonds (distance) C4'-P energy: -50.453
bonds (distance) P-C4' energy: -53.997
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -75.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -802.203821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.203821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.203821 (E_RNA)
where:
Base-Base interactions energy: -530.485
where: short stacking energy: -248.508
Base-Backbone interact. energy: 0.184
local terms energy: -271.902649
where:
bonds (distance) C4'-P energy: -51.694
bonds (distance) P-C4' energy: -58.666
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -36.294
tors. eta vs tors. theta energy: -71.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -644.717020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.717020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.717020 (E_RNA)
where:
Base-Base interactions energy: -433.791
where: short stacking energy: -197.994
Base-Backbone interact. energy: -1.687
local terms energy: -209.238544
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -37.000
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -472.226542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.226542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.226542 (E_RNA)
where:
Base-Base interactions energy: -277.689
where: short stacking energy: -140.652
Base-Backbone interact. energy: -0.621
local terms energy: -193.916905
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -43.425
flat angles C4'-P-C4' energy: -48.735
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -443.371751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.371751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.371751 (E_RNA)
where:
Base-Base interactions energy: -244.974
where: short stacking energy: -130.481
Base-Backbone interact. energy: -1.217
local terms energy: -197.180582
where:
bonds (distance) C4'-P energy: -41.861
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -44.944
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -27.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -416.783446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.783446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.783446 (E_RNA)
where:
Base-Base interactions energy: -232.961
where: short stacking energy: -103.631
Base-Backbone interact. energy: -3.138
local terms energy: -180.683911
where:
bonds (distance) C4'-P energy: -45.066
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -55.111
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1008.762024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.762024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.762024 (E_RNA)
where:
Base-Base interactions energy: -694.625
where: short stacking energy: -309.131
Base-Backbone interact. energy: 0.034
local terms energy: -314.170673
where:
bonds (distance) C4'-P energy: -59.574
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -44.803
tors. eta vs tors. theta energy: -92.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -996.721270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.721270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.721270 (E_RNA)
where:
Base-Base interactions energy: -687.759
where: short stacking energy: -284.989
Base-Backbone interact. energy: -0.213
local terms energy: -308.749048
where:
bonds (distance) C4'-P energy: -56.272
bonds (distance) P-C4' energy: -59.517
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -90.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -943.707684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.707684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.707684 (E_RNA)
where:
Base-Base interactions energy: -651.509
where: short stacking energy: -277.482
Base-Backbone interact. energy: 0.284
local terms energy: -292.482464
where:
bonds (distance) C4'-P energy: -56.549
bonds (distance) P-C4' energy: -48.333
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -88.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -872.598179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.598179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.598179 (E_RNA)
where:
Base-Base interactions energy: -599.279
where: short stacking energy: -274.368
Base-Backbone interact. energy: -1.637
local terms energy: -271.681743
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -54.472
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -80.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -818.244906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.244906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.244906 (E_RNA)
where:
Base-Base interactions energy: -534.749
where: short stacking energy: -256.834
Base-Backbone interact. energy: -0.732
local terms energy: -282.763853
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -50.377
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -83.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -806.113831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.113831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.113831 (E_RNA)
where:
Base-Base interactions energy: -547.977
where: short stacking energy: -240.018
Base-Backbone interact. energy: -1.313
local terms energy: -256.823184
where:
bonds (distance) C4'-P energy: -53.048
bonds (distance) P-C4' energy: -48.771
flat angles C4'-P-C4' energy: -53.091
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -72.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -630.354399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.354399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.354399 (E_RNA)
where:
Base-Base interactions energy: -404.195
where: short stacking energy: -188.442
Base-Backbone interact. energy: -1.253
local terms energy: -224.906925
where:
bonds (distance) C4'-P energy: -46.805
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -50.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -462.179497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.179497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.179497 (E_RNA)
where:
Base-Base interactions energy: -274.598
where: short stacking energy: -139.854
Base-Backbone interact. energy: -0.824
local terms energy: -186.757948
where:
bonds (distance) C4'-P energy: -47.683
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -50.350
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -500.894153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.894153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.894153 (E_RNA)
where:
Base-Base interactions energy: -306.889
where: short stacking energy: -138.554
Base-Backbone interact. energy: 0.722
local terms energy: -194.727043
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -54.064
flat angles C4'-P-C4' energy: -37.958
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -375.645206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.645206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.645206 (E_RNA)
where:
Base-Base interactions energy: -208.607
where: short stacking energy: -108.911
Base-Backbone interact. energy: 0.257
local terms energy: -167.294968
where:
bonds (distance) C4'-P energy: -47.266
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -37.230
flat angles P-C4'-P energy: -28.521
tors. eta vs tors. theta energy: -8.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1018.700383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.700383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.700383 (E_RNA)
where:
Base-Base interactions energy: -706.778
where: short stacking energy: -307.977
Base-Backbone interact. energy: 3.611
local terms energy: -315.533431
where:
bonds (distance) C4'-P energy: -60.214
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: -93.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -996.781115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.781115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.781115 (E_RNA)
where:
Base-Base interactions energy: -700.787
where: short stacking energy: -288.664
Base-Backbone interact. energy: -2.648
local terms energy: -293.345777
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -47.737
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -47.581
tors. eta vs tors. theta energy: -89.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -930.786908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.786908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.786908 (E_RNA)
where:
Base-Base interactions energy: -644.191
where: short stacking energy: -279.731
Base-Backbone interact. energy: 0.995
local terms energy: -287.591330
where:
bonds (distance) C4'-P energy: -49.540
bonds (distance) P-C4' energy: -42.047
flat angles C4'-P-C4' energy: -64.126
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -91.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -883.202794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.202794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.202794 (E_RNA)
where:
Base-Base interactions energy: -607.978
where: short stacking energy: -263.169
Base-Backbone interact. energy: -2.794
local terms energy: -272.430607
where:
bonds (distance) C4'-P energy: -52.133
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -54.601
flat angles P-C4'-P energy: -37.775
tors. eta vs tors. theta energy: -76.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -840.343607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.343607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.343607 (E_RNA)
where:
Base-Base interactions energy: -560.228
where: short stacking energy: -257.969
Base-Backbone interact. energy: -0.206
local terms energy: -279.909655
where:
bonds (distance) C4'-P energy: -51.203
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -62.499
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: -82.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -798.050089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.050089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.050089 (E_RNA)
where:
Base-Base interactions energy: -541.214
where: short stacking energy: -245.406
Base-Backbone interact. energy: -1.509
local terms energy: -255.327744
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -53.987
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -72.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -657.017953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.017953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.017953 (E_RNA)
where:
Base-Base interactions energy: -417.493
where: short stacking energy: -194.485
Base-Backbone interact. energy: -0.202
local terms energy: -239.322886
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -57.492
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -27.332
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -462.601939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.601939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.601939 (E_RNA)
where:
Base-Base interactions energy: -268.739
where: short stacking energy: -141.277
Base-Backbone interact. energy: -1.837
local terms energy: -192.025421
where:
bonds (distance) C4'-P energy: -44.119
bonds (distance) P-C4' energy: -42.912
flat angles C4'-P-C4' energy: -47.383
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -455.859976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.859976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.859976 (E_RNA)
where:
Base-Base interactions energy: -264.778
where: short stacking energy: -138.447
Base-Backbone interact. energy: 0.149
local terms energy: -191.230927
where:
bonds (distance) C4'-P energy: -53.653
bonds (distance) P-C4' energy: -40.768
flat angles C4'-P-C4' energy: -40.368
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -27.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -345.906555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.906555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.906555 (E_RNA)
where:
Base-Base interactions energy: -179.381
where: short stacking energy: -103.962
Base-Backbone interact. energy: 1.257
local terms energy: -167.782343
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -47.359
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1011.879689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.879689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.879689 (E_RNA)
where:
Base-Base interactions energy: -696.411
where: short stacking energy: -300.144
Base-Backbone interact. energy: -2.394
local terms energy: -313.074635
where:
bonds (distance) C4'-P energy: -53.914
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -64.590
flat angles P-C4'-P energy: -42.585
tors. eta vs tors. theta energy: -95.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -987.252980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.252980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.252980 (E_RNA)
where:
Base-Base interactions energy: -672.407
where: short stacking energy: -284.390
Base-Backbone interact. energy: -0.270
local terms energy: -314.575381
where:
bonds (distance) C4'-P energy: -54.371
bonds (distance) P-C4' energy: -59.086
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -45.696
tors. eta vs tors. theta energy: -89.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -949.568448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.568448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.568448 (E_RNA)
where:
Base-Base interactions energy: -635.761
where: short stacking energy: -278.443
Base-Backbone interact. energy: -0.858
local terms energy: -312.949229
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -92.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -894.463476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.463476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.463476 (E_RNA)
where:
Base-Base interactions energy: -615.343
where: short stacking energy: -267.587
Base-Backbone interact. energy: -1.260
local terms energy: -277.860267
where:
bonds (distance) C4'-P energy: -55.198
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -61.454
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -79.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -848.362490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.362490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.362490 (E_RNA)
where:
Base-Base interactions energy: -598.157
where: short stacking energy: -254.320
Base-Backbone interact. energy: 0.537
local terms energy: -250.742731
where:
bonds (distance) C4'-P energy: -47.283
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -38.872
tors. eta vs tors. theta energy: -61.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -816.884689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.884689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.884689 (E_RNA)
where:
Base-Base interactions energy: -552.991
where: short stacking energy: -270.897
Base-Backbone interact. energy: -0.457
local terms energy: -263.436026
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -53.288
flat angles C4'-P-C4' energy: -57.372
flat angles P-C4'-P energy: -33.909
tors. eta vs tors. theta energy: -76.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -650.470521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.470521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.470521 (E_RNA)
where:
Base-Base interactions energy: -437.831
where: short stacking energy: -196.649
Base-Backbone interact. energy: -0.732
local terms energy: -211.907099
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -46.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -462.038926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.038926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.038926 (E_RNA)
where:
Base-Base interactions energy: -278.915
where: short stacking energy: -134.648
Base-Backbone interact. energy: -0.763
local terms energy: -182.361196
where:
bonds (distance) C4'-P energy: -55.202
bonds (distance) P-C4' energy: -57.913
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -483.158259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.158259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.158259 (E_RNA)
where:
Base-Base interactions energy: -283.763
where: short stacking energy: -143.568
Base-Backbone interact. energy: -1.147
local terms energy: -198.248931
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -34.835
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -39.327
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -343.387382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.387382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.387382 (E_RNA)
where:
Base-Base interactions energy: -183.574
where: short stacking energy: -96.959
Base-Backbone interact. energy: -0.406
local terms energy: -159.407822
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -44.546
flat angles C4'-P-C4' energy: -32.692
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1021.560436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.560436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.560436 (E_RNA)
where:
Base-Base interactions energy: -695.958
where: short stacking energy: -312.465
Base-Backbone interact. energy: -1.988
local terms energy: -323.614229
where:
bonds (distance) C4'-P energy: -54.350
bonds (distance) P-C4' energy: -56.102
flat angles C4'-P-C4' energy: -67.520
flat angles P-C4'-P energy: -50.420
tors. eta vs tors. theta energy: -95.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -997.316378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.316378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.316378 (E_RNA)
where:
Base-Base interactions energy: -680.733
where: short stacking energy: -296.969
Base-Backbone interact. energy: -0.658
local terms energy: -315.924961
where:
bonds (distance) C4'-P energy: -49.037
bonds (distance) P-C4' energy: -67.365
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -91.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -955.164283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.164283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.164283 (E_RNA)
where:
Base-Base interactions energy: -650.947
where: short stacking energy: -279.519
Base-Backbone interact. energy: -0.579
local terms energy: -303.637729
where:
bonds (distance) C4'-P energy: -47.106
bonds (distance) P-C4' energy: -58.215
flat angles C4'-P-C4' energy: -64.614
flat angles P-C4'-P energy: -42.250
tors. eta vs tors. theta energy: -91.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -891.680214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.680214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.680214 (E_RNA)
where:
Base-Base interactions energy: -596.879
where: short stacking energy: -261.163
Base-Backbone interact. energy: -1.102
local terms energy: -293.698785
where:
bonds (distance) C4'-P energy: -47.737
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -63.622
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: -84.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -857.947392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.947392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.947392 (E_RNA)
where:
Base-Base interactions energy: -591.926
where: short stacking energy: -249.057
Base-Backbone interact. energy: -0.362
local terms energy: -265.658446
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -52.736
flat angles C4'-P-C4' energy: -53.714
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: -71.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -773.008544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.008544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.008544 (E_RNA)
where:
Base-Base interactions energy: -526.710
where: short stacking energy: -228.225
Base-Backbone interact. energy: -2.629
local terms energy: -243.669483
where:
bonds (distance) C4'-P energy: -34.238
bonds (distance) P-C4' energy: -50.195
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -35.113
tors. eta vs tors. theta energy: -72.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -635.649001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.649001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.649001 (E_RNA)
where:
Base-Base interactions energy: -410.954
where: short stacking energy: -183.465
Base-Backbone interact. energy: -1.470
local terms energy: -223.225781
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -48.883
flat angles C4'-P-C4' energy: -56.590
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -47.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -463.762592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.762592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.762592 (E_RNA)
where:
Base-Base interactions energy: -272.952
where: short stacking energy: -128.717
Base-Backbone interact. energy: -0.837
local terms energy: -189.973968
where:
bonds (distance) C4'-P energy: -29.538
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -456.789166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.789166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.789166 (E_RNA)
where:
Base-Base interactions energy: -269.992
where: short stacking energy: -132.684
Base-Backbone interact. energy: 0.295
local terms energy: -187.091594
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -44.122
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -394.173965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.173965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.173965 (E_RNA)
where:
Base-Base interactions energy: -237.449
where: short stacking energy: -120.920
Base-Backbone interact. energy: -0.616
local terms energy: -156.108557
where:
bonds (distance) C4'-P energy: -42.694
bonds (distance) P-C4' energy: -40.136
flat angles C4'-P-C4' energy: -32.461
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1026.921507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.921507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.921507 (E_RNA)
where:
Base-Base interactions energy: -698.763
where: short stacking energy: -303.294
Base-Backbone interact. energy: -0.678
local terms energy: -327.480492
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -45.527
tors. eta vs tors. theta energy: -96.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1002.530371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.530371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.530371 (E_RNA)
where:
Base-Base interactions energy: -693.692
where: short stacking energy: -296.928
Base-Backbone interact. energy: 0.621
local terms energy: -309.459996
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -61.559
flat angles P-C4'-P energy: -49.879
tors. eta vs tors. theta energy: -91.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -922.300225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.300225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.300225 (E_RNA)
where:
Base-Base interactions energy: -636.267
where: short stacking energy: -280.423
Base-Backbone interact. energy: -0.467
local terms energy: -285.566436
where:
bonds (distance) C4'-P energy: -47.149
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -42.615
tors. eta vs tors. theta energy: -85.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -863.734393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.734393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.734393 (E_RNA)
where:
Base-Base interactions energy: -613.088
where: short stacking energy: -262.035
Base-Backbone interact. energy: 0.543
local terms energy: -251.189287
where:
bonds (distance) C4'-P energy: -41.561
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -52.029
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -75.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -828.859750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.859750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.859750 (E_RNA)
where:
Base-Base interactions energy: -562.424
where: short stacking energy: -260.006
Base-Backbone interact. energy: -0.021
local terms energy: -266.415174
where:
bonds (distance) C4'-P energy: -37.280
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -61.920
flat angles P-C4'-P energy: -37.524
tors. eta vs tors. theta energy: -80.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -808.689334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.689334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.689334 (E_RNA)
where:
Base-Base interactions energy: -546.265
where: short stacking energy: -226.294
Base-Backbone interact. energy: 1.723
local terms energy: -264.147673
where:
bonds (distance) C4'-P energy: -53.335
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -53.074
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: -70.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -691.622793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.622793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.622793 (E_RNA)
where:
Base-Base interactions energy: -466.681
where: short stacking energy: -213.128
Base-Backbone interact. energy: -0.727
local terms energy: -224.215108
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -63.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -487.403240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.403240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.403240 (E_RNA)
where:
Base-Base interactions energy: -294.711
where: short stacking energy: -129.380
Base-Backbone interact. energy: 1.169
local terms energy: -193.861210
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -48.236
flat angles C4'-P-C4' energy: -47.041
flat angles P-C4'-P energy: -30.563
tors. eta vs tors. theta energy: -23.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -457.844977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.844977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.844977 (E_RNA)
where:
Base-Base interactions energy: -264.712
where: short stacking energy: -139.967
Base-Backbone interact. energy: -0.969
local terms energy: -192.163505
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -49.141
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -28.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -393.590032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.590032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.590032 (E_RNA)
where:
Base-Base interactions energy: -238.277
where: short stacking energy: -110.708
Base-Backbone interact. energy: -2.986
local terms energy: -152.327444
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1006.765383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.765383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.765383 (E_RNA)
where:
Base-Base interactions energy: -693.602
where: short stacking energy: -289.186
Base-Backbone interact. energy: -1.569
local terms energy: -311.594741
where:
bonds (distance) C4'-P energy: -53.329
bonds (distance) P-C4' energy: -53.616
flat angles C4'-P-C4' energy: -63.846
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -88.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -996.587739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.587739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.587739 (E_RNA)
where:
Base-Base interactions energy: -682.628
where: short stacking energy: -289.889
Base-Backbone interact. energy: -0.961
local terms energy: -312.998128
where:
bonds (distance) C4'-P energy: -60.251
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -66.751
flat angles P-C4'-P energy: -46.628
tors. eta vs tors. theta energy: -87.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -914.101227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.101227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.101227 (E_RNA)
where:
Base-Base interactions energy: -624.070
where: short stacking energy: -265.734
Base-Backbone interact. energy: -0.836
local terms energy: -289.195126
where:
bonds (distance) C4'-P energy: -61.433
bonds (distance) P-C4' energy: -48.456
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: -82.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -840.442361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.442361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.442361 (E_RNA)
where:
Base-Base interactions energy: -576.099
where: short stacking energy: -257.331
Base-Backbone interact. energy: 0.489
local terms energy: -264.831764
where:
bonds (distance) C4'-P energy: -42.011
bonds (distance) P-C4' energy: -57.639
flat angles C4'-P-C4' energy: -51.911
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -76.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -829.208241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.208241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.208241 (E_RNA)
where:
Base-Base interactions energy: -563.652
where: short stacking energy: -249.974
Base-Backbone interact. energy: -1.500
local terms energy: -264.056602
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -56.018
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -75.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -823.460120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.460120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.460120 (E_RNA)
where:
Base-Base interactions energy: -556.679
where: short stacking energy: -227.688
Base-Backbone interact. energy: -1.039
local terms energy: -265.742076
where:
bonds (distance) C4'-P energy: -38.599
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -59.869
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -67.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -695.903301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.903301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.903301 (E_RNA)
where:
Base-Base interactions energy: -449.973
where: short stacking energy: -193.306
Base-Backbone interact. energy: 1.323
local terms energy: -247.252787
where:
bonds (distance) C4'-P energy: -53.334
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -51.137
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -54.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -458.095352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.095352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.095352 (E_RNA)
where:
Base-Base interactions energy: -275.663
where: short stacking energy: -140.265
Base-Backbone interact. energy: -0.320
local terms energy: -182.112272
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -51.760
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -460.537895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.537895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.537895 (E_RNA)
where:
Base-Base interactions energy: -277.148
where: short stacking energy: -133.597
Base-Backbone interact. energy: -1.433
local terms energy: -181.956611
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -49.242
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -344.936922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.936922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.936922 (E_RNA)
where:
Base-Base interactions energy: -186.011
where: short stacking energy: -88.612
Base-Backbone interact. energy: 7.819
local terms energy: -166.744965
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -58.168
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1012.661585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.661585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.661585 (E_RNA)
where:
Base-Base interactions energy: -695.999
where: short stacking energy: -298.639
Base-Backbone interact. energy: -0.726
local terms energy: -315.936294
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -91.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -994.367711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.367711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.367711 (E_RNA)
where:
Base-Base interactions energy: -681.699
where: short stacking energy: -297.173
Base-Backbone interact. energy: -2.464
local terms energy: -310.205479
where:
bonds (distance) C4'-P energy: -59.135
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -63.205
flat angles P-C4'-P energy: -48.835
tors. eta vs tors. theta energy: -94.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -899.578443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.578443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.578443 (E_RNA)
where:
Base-Base interactions energy: -628.344
where: short stacking energy: -271.790
Base-Backbone interact. energy: -0.515
local terms energy: -270.719842
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -80.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -829.819819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.819819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.819819 (E_RNA)
where:
Base-Base interactions energy: -563.419
where: short stacking energy: -260.092
Base-Backbone interact. energy: 1.558
local terms energy: -267.958723
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -52.016
flat angles C4'-P-C4' energy: -48.093
flat angles P-C4'-P energy: -42.599
tors. eta vs tors. theta energy: -76.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -868.857679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.857679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.857679 (E_RNA)
where:
Base-Base interactions energy: -603.892
where: short stacking energy: -263.711
Base-Backbone interact. energy: -0.497
local terms energy: -264.468968
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -50.431
flat angles C4'-P-C4' energy: -58.285
flat angles P-C4'-P energy: -38.827
tors. eta vs tors. theta energy: -78.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -836.112152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.112152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.112152 (E_RNA)
where:
Base-Base interactions energy: -561.169
where: short stacking energy: -239.313
Base-Backbone interact. energy: -1.082
local terms energy: -273.860749
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -58.248
flat angles P-C4'-P energy: -32.891
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -655.630986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.630986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.630986 (E_RNA)
where:
Base-Base interactions energy: -423.335
where: short stacking energy: -197.354
Base-Backbone interact. energy: -0.294
local terms energy: -232.002061
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -55.639
flat angles C4'-P-C4' energy: -54.666
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -50.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -467.474707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.474707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.474707 (E_RNA)
where:
Base-Base interactions energy: -257.356
where: short stacking energy: -125.837
Base-Backbone interact. energy: 1.752
local terms energy: -211.869878
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -60.186
flat angles C4'-P-C4' energy: -50.929
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -457.167688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.167688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.167688 (E_RNA)
where:
Base-Base interactions energy: -270.658
where: short stacking energy: -142.847
Base-Backbone interact. energy: 0.048
local terms energy: -186.558000
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -42.693
flat angles C4'-P-C4' energy: -28.237
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -333.654521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.654521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.654521 (E_RNA)
where:
Base-Base interactions energy: -173.999
where: short stacking energy: -87.602
Base-Backbone interact. energy: -0.994
local terms energy: -158.661509
where:
bonds (distance) C4'-P energy: -51.214
bonds (distance) P-C4' energy: -44.042
flat angles C4'-P-C4' energy: -45.044
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1014.653871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.653871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.653871 (E_RNA)
where:
Base-Base interactions energy: -714.170
where: short stacking energy: -315.066
Base-Backbone interact. energy: -0.767
local terms energy: -299.717409
where:
bonds (distance) C4'-P energy: -51.427
bonds (distance) P-C4' energy: -52.062
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -89.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -979.758714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.758714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.758714 (E_RNA)
where:
Base-Base interactions energy: -673.669
where: short stacking energy: -288.622
Base-Backbone interact. energy: -0.592
local terms energy: -305.497306
where:
bonds (distance) C4'-P energy: -61.192
bonds (distance) P-C4' energy: -51.697
flat angles C4'-P-C4' energy: -63.201
flat angles P-C4'-P energy: -42.063
tors. eta vs tors. theta energy: -87.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -935.069303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.069303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.069303 (E_RNA)
where:
Base-Base interactions energy: -645.866
where: short stacking energy: -285.083
Base-Backbone interact. energy: -0.791
local terms energy: -288.412415
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -90.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -940.153220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.153220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.153220 (E_RNA)
where:
Base-Base interactions energy: -643.182
where: short stacking energy: -285.344
Base-Backbone interact. energy: -1.123
local terms energy: -295.847712
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -60.147
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -44.895
tors. eta vs tors. theta energy: -86.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -834.549989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.549989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.549989 (E_RNA)
where:
Base-Base interactions energy: -568.233
where: short stacking energy: -256.653
Base-Backbone interact. energy: -0.489
local terms energy: -265.827095
where:
bonds (distance) C4'-P energy: -54.460
bonds (distance) P-C4' energy: -54.436
flat angles C4'-P-C4' energy: -48.182
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: -78.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -848.199607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.199607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.199607 (E_RNA)
where:
Base-Base interactions energy: -583.487
where: short stacking energy: -259.381
Base-Backbone interact. energy: -0.746
local terms energy: -263.966434
where:
bonds (distance) C4'-P energy: -49.531
bonds (distance) P-C4' energy: -44.643
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -79.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -650.564506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.564506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.564506 (E_RNA)
where:
Base-Base interactions energy: -418.353
where: short stacking energy: -176.313
Base-Backbone interact. energy: -1.235
local terms energy: -230.976640
where:
bonds (distance) C4'-P energy: -47.414
bonds (distance) P-C4' energy: -49.125
flat angles C4'-P-C4' energy: -56.278
flat angles P-C4'-P energy: -27.529
tors. eta vs tors. theta energy: -50.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -497.624696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.624696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.624696 (E_RNA)
where:
Base-Base interactions energy: -293.388
where: short stacking energy: -155.455
Base-Backbone interact. energy: 0.369
local terms energy: -204.605997
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -54.430
flat angles C4'-P-C4' energy: -47.914
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -480.352285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.352285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.352285 (E_RNA)
where:
Base-Base interactions energy: -268.944
where: short stacking energy: -132.018
Base-Backbone interact. energy: -0.275
local terms energy: -211.133249
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -46.435
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -35.199
tors. eta vs tors. theta energy: -34.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -353.593052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.593052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.593052 (E_RNA)
where:
Base-Base interactions energy: -191.300
where: short stacking energy: -108.068
Base-Backbone interact. energy: -1.198
local terms energy: -161.094351
where:
bonds (distance) C4'-P energy: -47.155
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -55.379
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: 2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1018.819302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.819302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.819302 (E_RNA)
where:
Base-Base interactions energy: -708.723
where: short stacking energy: -298.316
Base-Backbone interact. energy: -0.762
local terms energy: -309.333961
where:
bonds (distance) C4'-P energy: -58.525
bonds (distance) P-C4' energy: -57.412
flat angles C4'-P-C4' energy: -52.733
flat angles P-C4'-P energy: -49.502
tors. eta vs tors. theta energy: -91.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -993.137782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.137782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.137782 (E_RNA)
where:
Base-Base interactions energy: -690.178
where: short stacking energy: -288.019
Base-Backbone interact. energy: -1.541
local terms energy: -301.418437
where:
bonds (distance) C4'-P energy: -51.732
bonds (distance) P-C4' energy: -51.610
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -89.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -962.152961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.152961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.152961 (E_RNA)
where:
Base-Base interactions energy: -642.950
where: short stacking energy: -286.216
Base-Backbone interact. energy: -1.026
local terms energy: -318.177002
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -54.521
flat angles C4'-P-C4' energy: -63.384
flat angles P-C4'-P energy: -49.456
tors. eta vs tors. theta energy: -93.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -921.231593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.231593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.231593 (E_RNA)
where:
Base-Base interactions energy: -636.812
where: short stacking energy: -279.788
Base-Backbone interact. energy: 2.066
local terms energy: -286.486068
where:
bonds (distance) C4'-P energy: -55.560
bonds (distance) P-C4' energy: -48.480
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -87.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -801.088793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.088793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.088793 (E_RNA)
where:
Base-Base interactions energy: -541.842
where: short stacking energy: -231.327
Base-Backbone interact. energy: -0.294
local terms energy: -258.953559
where:
bonds (distance) C4'-P energy: -43.328
bonds (distance) P-C4' energy: -44.009
flat angles C4'-P-C4' energy: -54.386
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -76.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -811.632759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.632759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.632759 (E_RNA)
where:
Base-Base interactions energy: -551.872
where: short stacking energy: -242.179
Base-Backbone interact. energy: 0.654
local terms energy: -260.415699
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -55.978
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -36.993
tors. eta vs tors. theta energy: -75.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -650.669131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.669131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.669131 (E_RNA)
where:
Base-Base interactions energy: -417.050
where: short stacking energy: -195.843
Base-Backbone interact. energy: -0.487
local terms energy: -233.132797
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -58.969
flat angles C4'-P-C4' energy: -47.663
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -47.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -497.252284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.252284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.252284 (E_RNA)
where:
Base-Base interactions energy: -285.441
where: short stacking energy: -143.209
Base-Backbone interact. energy: 0.367
local terms energy: -212.179162
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -47.398
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -34.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -450.600063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.600063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.600063 (E_RNA)
where:
Base-Base interactions energy: -259.713
where: short stacking energy: -117.165
Base-Backbone interact. energy: -0.828
local terms energy: -190.058706
where:
bonds (distance) C4'-P energy: -38.935
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -332.929383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.929383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.929383 (E_RNA)
where:
Base-Base interactions energy: -160.446
where: short stacking energy: -104.668
Base-Backbone interact. energy: 3.069
local terms energy: -175.551978
where:
bonds (distance) C4'-P energy: -45.917
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -42.857
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1012.884442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.884442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.884442 (E_RNA)
where:
Base-Base interactions energy: -703.833
where: short stacking energy: -299.165
Base-Backbone interact. energy: -1.437
local terms energy: -307.614057
where:
bonds (distance) C4'-P energy: -54.000
bonds (distance) P-C4' energy: -56.273
flat angles C4'-P-C4' energy: -61.487
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -92.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -986.635751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.635751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.635751 (E_RNA)
where:
Base-Base interactions energy: -677.257
where: short stacking energy: -290.049
Base-Backbone interact. energy: -1.188
local terms energy: -308.190911
where:
bonds (distance) C4'-P energy: -59.969
bonds (distance) P-C4' energy: -54.203
flat angles C4'-P-C4' energy: -61.654
flat angles P-C4'-P energy: -43.347
tors. eta vs tors. theta energy: -89.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -986.126960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.126960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.126960 (E_RNA)
where:
Base-Base interactions energy: -674.584
where: short stacking energy: -298.091
Base-Backbone interact. energy: 0.978
local terms energy: -312.521716
where:
bonds (distance) C4'-P energy: -61.373
bonds (distance) P-C4' energy: -57.926
flat angles C4'-P-C4' energy: -64.082
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: -89.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -934.915029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.915029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.915029 (E_RNA)
where:
Base-Base interactions energy: -609.964
where: short stacking energy: -278.563
Base-Backbone interact. energy: -1.157
local terms energy: -323.793899
where:
bonds (distance) C4'-P energy: -56.392
bonds (distance) P-C4' energy: -56.097
flat angles C4'-P-C4' energy: -69.006
flat angles P-C4'-P energy: -48.821
tors. eta vs tors. theta energy: -93.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -821.669605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.669605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.669605 (E_RNA)
where:
Base-Base interactions energy: -577.217
where: short stacking energy: -215.758
Base-Backbone interact. energy: -0.756
local terms energy: -243.696353
where:
bonds (distance) C4'-P energy: -46.733
bonds (distance) P-C4' energy: -63.194
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -23.290
tors. eta vs tors. theta energy: -57.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -826.686434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.686434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.686434 (E_RNA)
where:
Base-Base interactions energy: -552.991
where: short stacking energy: -231.507
Base-Backbone interact. energy: -1.085
local terms energy: -272.609949
where:
bonds (distance) C4'-P energy: -48.629
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -56.636
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -71.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -713.110759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.110759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.110759 (E_RNA)
where:
Base-Base interactions energy: -463.695
where: short stacking energy: -211.060
Base-Backbone interact. energy: -0.949
local terms energy: -248.466471
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -58.137
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -35.301
tors. eta vs tors. theta energy: -57.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -529.899421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.899421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.899421 (E_RNA)
where:
Base-Base interactions energy: -315.924
where: short stacking energy: -164.921
Base-Backbone interact. energy: -0.377
local terms energy: -213.598838
where:
bonds (distance) C4'-P energy: -55.347
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -45.594
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -34.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -465.313541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.313541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.313541 (E_RNA)
where:
Base-Base interactions energy: -261.741
where: short stacking energy: -156.997
Base-Backbone interact. energy: 2.306
local terms energy: -205.879216
where:
bonds (distance) C4'-P energy: -49.408
bonds (distance) P-C4' energy: -49.277
flat angles C4'-P-C4' energy: -56.190
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -30.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -381.277396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.277396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.277396 (E_RNA)
where:
Base-Base interactions energy: -209.713
where: short stacking energy: -108.941
Base-Backbone interact. energy: -2.045
local terms energy: -169.519913
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -49.502
flat angles C4'-P-C4' energy: -37.360
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1016.494787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.494787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.494787 (E_RNA)
where:
Base-Base interactions energy: -692.178
where: short stacking energy: -304.490
Base-Backbone interact. energy: 0.002
local terms energy: -324.319663
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -67.660
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -95.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -999.008978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.008978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.008978 (E_RNA)
where:
Base-Base interactions energy: -675.604
where: short stacking energy: -293.018
Base-Backbone interact. energy: -1.474
local terms energy: -321.930778
where:
bonds (distance) C4'-P energy: -53.416
bonds (distance) P-C4' energy: -62.800
flat angles C4'-P-C4' energy: -62.707
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -96.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -971.010617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.010617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.010617 (E_RNA)
where:
Base-Base interactions energy: -670.716
where: short stacking energy: -302.174
Base-Backbone interact. energy: -0.078
local terms energy: -300.216475
where:
bonds (distance) C4'-P energy: -57.819
bonds (distance) P-C4' energy: -52.999
flat angles C4'-P-C4' energy: -61.551
flat angles P-C4'-P energy: -38.568
tors. eta vs tors. theta energy: -89.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -921.082915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.082915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.082915 (E_RNA)
where:
Base-Base interactions energy: -632.403
where: short stacking energy: -277.026
Base-Backbone interact. energy: -0.357
local terms energy: -288.322291
where:
bonds (distance) C4'-P energy: -45.794
bonds (distance) P-C4' energy: -60.113
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -84.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -847.887113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.887113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.887113 (E_RNA)
where:
Base-Base interactions energy: -559.851
where: short stacking energy: -239.218
Base-Backbone interact. energy: -0.883
local terms energy: -287.152360
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -47.777
flat angles C4'-P-C4' energy: -64.911
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -76.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -801.917579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.917579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.917579 (E_RNA)
where:
Base-Base interactions energy: -532.958
where: short stacking energy: -233.389
Base-Backbone interact. energy: -1.171
local terms energy: -267.788004
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -48.288
flat angles C4'-P-C4' energy: -59.146
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -73.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -715.017077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.017077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.017077 (E_RNA)
where:
Base-Base interactions energy: -463.288
where: short stacking energy: -209.438
Base-Backbone interact. energy: -1.195
local terms energy: -250.533972
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -58.324
flat angles C4'-P-C4' energy: -50.822
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -59.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -513.609664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.609664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.609664 (E_RNA)
where:
Base-Base interactions energy: -313.427
where: short stacking energy: -143.641
Base-Backbone interact. energy: 3.008
local terms energy: -203.190257
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -438.355974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.355974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.355974 (E_RNA)
where:
Base-Base interactions energy: -262.331
where: short stacking energy: -143.026
Base-Backbone interact. energy: -0.178
local terms energy: -175.847327
where:
bonds (distance) C4'-P energy: -43.429
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -54.256
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -358.303154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.303154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.303154 (E_RNA)
where:
Base-Base interactions energy: -210.547
where: short stacking energy: -125.520
Base-Backbone interact. energy: -0.464
local terms energy: -147.291921
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -30.142
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -22.389
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1024.871434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.871434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.871434 (E_RNA)
where:
Base-Base interactions energy: -712.127
where: short stacking energy: -307.382
Base-Backbone interact. energy: -0.589
local terms energy: -312.155199
where:
bonds (distance) C4'-P energy: -60.320
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -65.741
flat angles P-C4'-P energy: -45.309
tors. eta vs tors. theta energy: -87.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1016.479550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.479550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.479550 (E_RNA)
where:
Base-Base interactions energy: -705.653
where: short stacking energy: -320.195
Base-Backbone interact. energy: -0.806
local terms energy: -310.020884
where:
bonds (distance) C4'-P energy: -49.773
bonds (distance) P-C4' energy: -57.954
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: -96.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -965.526513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.526513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.526513 (E_RNA)
where:
Base-Base interactions energy: -668.004
where: short stacking energy: -267.832
Base-Backbone interact. energy: 0.117
local terms energy: -297.639695
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -62.589
flat angles P-C4'-P energy: -46.186
tors. eta vs tors. theta energy: -81.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -905.382734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.382734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.382734 (E_RNA)
where:
Base-Base interactions energy: -616.133
where: short stacking energy: -287.763
Base-Backbone interact. energy: -0.354
local terms energy: -288.896284
where:
bonds (distance) C4'-P energy: -56.606
bonds (distance) P-C4' energy: -39.961
flat angles C4'-P-C4' energy: -61.685
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -89.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -890.783359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.783359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.783359 (E_RNA)
where:
Base-Base interactions energy: -601.004
where: short stacking energy: -270.238
Base-Backbone interact. energy: -0.241
local terms energy: -289.538256
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -54.233
flat angles C4'-P-C4' energy: -61.819
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -81.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -785.126810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.126810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.126810 (E_RNA)
where:
Base-Base interactions energy: -537.743
where: short stacking energy: -242.777
Base-Backbone interact. energy: -2.275
local terms energy: -245.109131
where:
bonds (distance) C4'-P energy: -45.101
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -55.345
flat angles P-C4'-P energy: -31.323
tors. eta vs tors. theta energy: -69.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -698.228232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.228232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.228232 (E_RNA)
where:
Base-Base interactions energy: -456.883
where: short stacking energy: -226.272
Base-Backbone interact. energy: 0.673
local terms energy: -242.018622
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -52.689
flat angles C4'-P-C4' energy: -52.811
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -59.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -519.002733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.002733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.002733 (E_RNA)
where:
Base-Base interactions energy: -303.334
where: short stacking energy: -126.331
Base-Backbone interact. energy: -0.924
local terms energy: -214.743960
where:
bonds (distance) C4'-P energy: -54.278
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -460.365849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.365849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.365849 (E_RNA)
where:
Base-Base interactions energy: -255.715
where: short stacking energy: -126.350
Base-Backbone interact. energy: -1.058
local terms energy: -203.592998
where:
bonds (distance) C4'-P energy: -43.230
bonds (distance) P-C4' energy: -50.403
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -36.714
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -355.733486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.733486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.733486 (E_RNA)
where:
Base-Base interactions energy: -193.475
where: short stacking energy: -93.732
Base-Backbone interact. energy: -0.149
local terms energy: -162.109348
where:
bonds (distance) C4'-P energy: -54.993
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -43.732
flat angles P-C4'-P energy: -21.971
tors. eta vs tors. theta energy: 0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1009.344550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.344550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.344550 (E_RNA)
where:
Base-Base interactions energy: -687.023
where: short stacking energy: -289.542
Base-Backbone interact. energy: -2.481
local terms energy: -319.840527
where:
bonds (distance) C4'-P energy: -53.208
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -45.511
tors. eta vs tors. theta energy: -96.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -993.491999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.491999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.491999 (E_RNA)
where:
Base-Base interactions energy: -686.339
where: short stacking energy: -299.384
Base-Backbone interact. energy: 0.046
local terms energy: -307.199515
where:
bonds (distance) C4'-P energy: -52.768
bonds (distance) P-C4' energy: -53.398
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -47.273
tors. eta vs tors. theta energy: -93.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -939.029864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.029864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.029864 (E_RNA)
where:
Base-Base interactions energy: -639.775
where: short stacking energy: -289.818
Base-Backbone interact. energy: -0.951
local terms energy: -298.304135
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -55.631
flat angles P-C4'-P energy: -37.934
tors. eta vs tors. theta energy: -91.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -939.628103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.628103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.628103 (E_RNA)
where:
Base-Base interactions energy: -664.362
where: short stacking energy: -285.609
Base-Backbone interact. energy: -0.213
local terms energy: -275.052734
where:
bonds (distance) C4'-P energy: -44.608
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -90.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -882.241987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.241987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.241987 (E_RNA)
where:
Base-Base interactions energy: -588.700
where: short stacking energy: -260.285
Base-Backbone interact. energy: -0.558
local terms energy: -292.984096
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -51.840
flat angles C4'-P-C4' energy: -68.070
flat angles P-C4'-P energy: -44.950
tors. eta vs tors. theta energy: -81.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -797.032700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.032700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.032700 (E_RNA)
where:
Base-Base interactions energy: -520.080
where: short stacking energy: -237.955
Base-Backbone interact. energy: -0.610
local terms energy: -276.342380
where:
bonds (distance) C4'-P energy: -53.608
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -59.829
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -71.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -692.952905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.952905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.952905 (E_RNA)
where:
Base-Base interactions energy: -446.598
where: short stacking energy: -211.052
Base-Backbone interact. energy: -1.306
local terms energy: -245.049552
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -39.085
flat angles C4'-P-C4' energy: -54.044
flat angles P-C4'-P energy: -31.730
tors. eta vs tors. theta energy: -67.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -510.112526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.112526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.112526 (E_RNA)
where:
Base-Base interactions energy: -325.227
where: short stacking energy: -158.082
Base-Backbone interact. energy: -0.139
local terms energy: -184.746939
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -51.732
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: -34.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -420.187182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.187182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.187182 (E_RNA)
where:
Base-Base interactions energy: -242.960
where: short stacking energy: -119.734
Base-Backbone interact. energy: -1.511
local terms energy: -175.716127
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -25.706
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -348.241261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.241261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.241261 (E_RNA)
where:
Base-Base interactions energy: -191.011
where: short stacking energy: -102.354
Base-Backbone interact. energy: -0.844
local terms energy: -156.386036
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -46.588
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1029.235009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.235009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.235009 (E_RNA)
where:
Base-Base interactions energy: -704.217
where: short stacking energy: -313.619
Base-Backbone interact. energy: 1.858
local terms energy: -326.875633
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -61.834
flat angles C4'-P-C4' energy: -67.071
flat angles P-C4'-P energy: -44.611
tors. eta vs tors. theta energy: -97.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -984.473925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.473925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.473925 (E_RNA)
where:
Base-Base interactions energy: -681.132
where: short stacking energy: -293.379
Base-Backbone interact. energy: -0.556
local terms energy: -302.786533
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -61.444
flat angles C4'-P-C4' energy: -66.903
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -86.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -949.505740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.505740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.505740 (E_RNA)
where:
Base-Base interactions energy: -643.593
where: short stacking energy: -297.331
Base-Backbone interact. energy: -0.225
local terms energy: -305.688057
where:
bonds (distance) C4'-P energy: -44.665
bonds (distance) P-C4' energy: -59.866
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -46.189
tors. eta vs tors. theta energy: -89.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -890.781523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.781523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.781523 (E_RNA)
where:
Base-Base interactions energy: -610.101
where: short stacking energy: -269.343
Base-Backbone interact. energy: -1.549
local terms energy: -279.131761
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -53.758
flat angles C4'-P-C4' energy: -60.233
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: -74.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -903.792863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.792863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.792863 (E_RNA)
where:
Base-Base interactions energy: -643.274
where: short stacking energy: -270.181
Base-Backbone interact. energy: -0.641
local terms energy: -259.878322
where:
bonds (distance) C4'-P energy: -40.936
bonds (distance) P-C4' energy: -47.269
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -76.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -800.360988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.360988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.360988 (E_RNA)
where:
Base-Base interactions energy: -525.022
where: short stacking energy: -237.630
Base-Backbone interact. energy: -1.247
local terms energy: -274.091260
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -47.829
flat angles C4'-P-C4' energy: -63.229
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -72.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -644.564160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.564160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.564160 (E_RNA)
where:
Base-Base interactions energy: -418.776
where: short stacking energy: -202.167
Base-Backbone interact. energy: -0.607
local terms energy: -225.181525
where:
bonds (distance) C4'-P energy: -44.879
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -52.974
flat angles P-C4'-P energy: -27.395
tors. eta vs tors. theta energy: -48.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -545.112848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.112848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.112848 (E_RNA)
where:
Base-Base interactions energy: -334.091
where: short stacking energy: -153.226
Base-Backbone interact. energy: -0.120
local terms energy: -210.901654
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -45.041
flat angles C4'-P-C4' energy: -54.017
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -30.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -417.098470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.098470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.098470 (E_RNA)
where:
Base-Base interactions energy: -236.827
where: short stacking energy: -122.083
Base-Backbone interact. energy: 1.303
local terms energy: -181.575201
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -48.826
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -355.356003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.356003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.356003 (E_RNA)
where:
Base-Base interactions energy: -181.666
where: short stacking energy: -101.749
Base-Backbone interact. energy: -0.487
local terms energy: -173.202241
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -36.955
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1001.541270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.541270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.541270 (E_RNA)
where:
Base-Base interactions energy: -676.370
where: short stacking energy: -299.694
Base-Backbone interact. energy: -1.294
local terms energy: -323.876420
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -60.550
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -95.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -998.329483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.329483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.329483 (E_RNA)
where:
Base-Base interactions energy: -686.246
where: short stacking energy: -301.242
Base-Backbone interact. energy: -0.692
local terms energy: -311.391475
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -66.052
flat angles P-C4'-P energy: -49.674
tors. eta vs tors. theta energy: -87.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -962.904828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.904828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.904828 (E_RNA)
where:
Base-Base interactions energy: -650.702
where: short stacking energy: -310.844
Base-Backbone interact. energy: -0.627
local terms energy: -311.576007
where:
bonds (distance) C4'-P energy: -58.447
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: -93.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -875.770697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.770697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.770697 (E_RNA)
where:
Base-Base interactions energy: -590.442
where: short stacking energy: -254.883
Base-Backbone interact. energy: -0.371
local terms energy: -284.957669
where:
bonds (distance) C4'-P energy: -54.362
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -39.364
tors. eta vs tors. theta energy: -83.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -887.093081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.093081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.093081 (E_RNA)
where:
Base-Base interactions energy: -596.878
where: short stacking energy: -245.384
Base-Backbone interact. energy: -0.028
local terms energy: -290.187297
where:
bonds (distance) C4'-P energy: -50.698
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -45.849
tors. eta vs tors. theta energy: -82.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -767.592573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.592573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.592573 (E_RNA)
where:
Base-Base interactions energy: -497.436
where: short stacking energy: -230.879
Base-Backbone interact. energy: -0.706
local terms energy: -269.451232
where:
bonds (distance) C4'-P energy: -47.226
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -46.353
tors. eta vs tors. theta energy: -67.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -639.896260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.896260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.896260 (E_RNA)
where:
Base-Base interactions energy: -393.612
where: short stacking energy: -182.704
Base-Backbone interact. energy: -0.842
local terms energy: -245.442605
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -62.271
flat angles C4'-P-C4' energy: -61.663
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -43.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -525.875512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.875512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.875512 (E_RNA)
where:
Base-Base interactions energy: -320.427
where: short stacking energy: -159.134
Base-Backbone interact. energy: -0.869
local terms energy: -204.579496
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -29.639
tors. eta vs tors. theta energy: -30.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -429.473385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.473385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.473385 (E_RNA)
where:
Base-Base interactions energy: -253.242
where: short stacking energy: -124.739
Base-Backbone interact. energy: 5.656
local terms energy: -181.887449
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -50.773
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -341.033574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.033574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.033574 (E_RNA)
where:
Base-Base interactions energy: -164.347
where: short stacking energy: -75.800
Base-Backbone interact. energy: 3.520
local terms energy: -180.206150
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -58.960
flat angles C4'-P-C4' energy: -46.479
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: 7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1007.335086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.335086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.335086 (E_RNA)
where:
Base-Base interactions energy: -688.499
where: short stacking energy: -301.359
Base-Backbone interact. energy: -1.479
local terms energy: -317.357431
where:
bonds (distance) C4'-P energy: -57.114
bonds (distance) P-C4' energy: -59.189
flat angles C4'-P-C4' energy: -64.960
flat angles P-C4'-P energy: -42.874
tors. eta vs tors. theta energy: -93.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -999.133332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.133332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.133332 (E_RNA)
where:
Base-Base interactions energy: -701.411
where: short stacking energy: -303.103
Base-Backbone interact. energy: 2.209
local terms energy: -299.931243
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -67.569
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -89.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -939.988078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.988078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.988078 (E_RNA)
where:
Base-Base interactions energy: -652.081
where: short stacking energy: -285.576
Base-Backbone interact. energy: -0.722
local terms energy: -287.184746
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -60.676
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -91.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -892.306463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.306463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.306463 (E_RNA)
where:
Base-Base interactions energy: -603.416
where: short stacking energy: -256.629
Base-Backbone interact. energy: -2.320
local terms energy: -286.570653
where:
bonds (distance) C4'-P energy: -54.731
bonds (distance) P-C4' energy: -54.496
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -40.827
tors. eta vs tors. theta energy: -73.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -850.895632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.895632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.895632 (E_RNA)
where:
Base-Base interactions energy: -576.403
where: short stacking energy: -262.337
Base-Backbone interact. energy: -0.983
local terms energy: -273.508853
where:
bonds (distance) C4'-P energy: -58.013
bonds (distance) P-C4' energy: -50.060
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -76.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -762.376427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.376427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.376427 (E_RNA)
where:
Base-Base interactions energy: -527.203
where: short stacking energy: -231.401
Base-Backbone interact. energy: 0.459
local terms energy: -235.631947
where:
bonds (distance) C4'-P energy: -45.411
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -58.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -640.016734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.016734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.016734 (E_RNA)
where:
Base-Base interactions energy: -401.243
where: short stacking energy: -192.158
Base-Backbone interact. energy: 2.436
local terms energy: -241.209506
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -56.085
flat angles C4'-P-C4' energy: -52.254
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: -46.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -494.209347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.209347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.209347 (E_RNA)
where:
Base-Base interactions energy: -300.200
where: short stacking energy: -139.536
Base-Backbone interact. energy: 2.802
local terms energy: -196.810935
where:
bonds (distance) C4'-P energy: -43.181
bonds (distance) P-C4' energy: -48.408
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -23.368
tors. eta vs tors. theta energy: -28.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -520.336997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.336997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.336997 (E_RNA)
where:
Base-Base interactions energy: -320.137
where: short stacking energy: -149.491
Base-Backbone interact. energy: 1.749
local terms energy: -201.949573
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -57.166
flat angles C4'-P-C4' energy: -47.910
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -387.787077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.787077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.787077 (E_RNA)
where:
Base-Base interactions energy: -233.707
where: short stacking energy: -106.966
Base-Backbone interact. energy: 3.656
local terms energy: -157.736121
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1002.809323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.809323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.809323 (E_RNA)
where:
Base-Base interactions energy: -681.748
where: short stacking energy: -298.226
Base-Backbone interact. energy: -0.848
local terms energy: -320.213421
where:
bonds (distance) C4'-P energy: -51.210
bonds (distance) P-C4' energy: -60.955
flat angles C4'-P-C4' energy: -63.060
flat angles P-C4'-P energy: -44.348
tors. eta vs tors. theta energy: -100.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -987.186427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.186427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.186427 (E_RNA)
where:
Base-Base interactions energy: -678.764
where: short stacking energy: -302.496
Base-Backbone interact. energy: 0.085
local terms energy: -308.507155
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -59.474
flat angles C4'-P-C4' energy: -70.667
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -94.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -966.001194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.001194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.001194 (E_RNA)
where:
Base-Base interactions energy: -665.188
where: short stacking energy: -299.599
Base-Backbone interact. energy: -0.583
local terms energy: -300.230049
where:
bonds (distance) C4'-P energy: -52.146
bonds (distance) P-C4' energy: -54.245
flat angles C4'-P-C4' energy: -65.071
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -91.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -927.437663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.437663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.437663 (E_RNA)
where:
Base-Base interactions energy: -626.476
where: short stacking energy: -270.841
Base-Backbone interact. energy: -2.330
local terms energy: -298.631597
where:
bonds (distance) C4'-P energy: -51.553
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -62.280
flat angles P-C4'-P energy: -41.619
tors. eta vs tors. theta energy: -82.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -851.186444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.186444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.186444 (E_RNA)
where:
Base-Base interactions energy: -577.989
where: short stacking energy: -261.610
Base-Backbone interact. energy: -0.919
local terms energy: -272.278809
where:
bonds (distance) C4'-P energy: -46.003
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -38.197
tors. eta vs tors. theta energy: -76.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -779.182450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.182450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.182450 (E_RNA)
where:
Base-Base interactions energy: -525.397
where: short stacking energy: -225.648
Base-Backbone interact. energy: -2.244
local terms energy: -251.541889
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -52.390
flat angles C4'-P-C4' energy: -55.928
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -53.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -617.978135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.978135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.978135 (E_RNA)
where:
Base-Base interactions energy: -409.114
where: short stacking energy: -184.060
Base-Backbone interact. energy: -1.630
local terms energy: -207.233741
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -42.135
flat angles P-C4'-P energy: -27.682
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -505.874853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.874853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.874853 (E_RNA)
where:
Base-Base interactions energy: -284.115
where: short stacking energy: -143.918
Base-Backbone interact. energy: -0.676
local terms energy: -221.083323
where:
bonds (distance) C4'-P energy: -52.948
bonds (distance) P-C4' energy: -57.593
flat angles C4'-P-C4' energy: -51.758
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -503.872549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.872549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.872549 (E_RNA)
where:
Base-Base interactions energy: -313.269
where: short stacking energy: -142.327
Base-Backbone interact. energy: -0.485
local terms energy: -190.118814
where:
bonds (distance) C4'-P energy: -45.143
bonds (distance) P-C4' energy: -48.810
flat angles C4'-P-C4' energy: -48.482
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -326.309341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309341 (E_RNA)
where:
Base-Base interactions energy: -162.946
where: short stacking energy: -106.072
Base-Backbone interact. energy: -2.182
local terms energy: -161.181066
where:
bonds (distance) C4'-P energy: -42.206
bonds (distance) P-C4' energy: -49.384
flat angles C4'-P-C4' energy: -43.863
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1015.372038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.372038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.372038 (E_RNA)
where:
Base-Base interactions energy: -685.614
where: short stacking energy: -302.114
Base-Backbone interact. energy: -1.411
local terms energy: -328.347775
where:
bonds (distance) C4'-P energy: -57.984
bonds (distance) P-C4' energy: -62.914
flat angles C4'-P-C4' energy: -64.835
flat angles P-C4'-P energy: -47.921
tors. eta vs tors. theta energy: -94.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -981.267380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.267380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.267380 (E_RNA)
where:
Base-Base interactions energy: -671.182
where: short stacking energy: -305.163
Base-Backbone interact. energy: -0.550
local terms energy: -309.535717
where:
bonds (distance) C4'-P energy: -58.501
bonds (distance) P-C4' energy: -58.900
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -87.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -976.324517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.324517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.324517 (E_RNA)
where:
Base-Base interactions energy: -658.356
where: short stacking energy: -299.180
Base-Backbone interact. energy: -0.944
local terms energy: -317.024169
where:
bonds (distance) C4'-P energy: -55.815
bonds (distance) P-C4' energy: -58.072
flat angles C4'-P-C4' energy: -62.059
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -98.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -862.922353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.922353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.922353 (E_RNA)
where:
Base-Base interactions energy: -594.599
where: short stacking energy: -261.400
Base-Backbone interact. energy: -1.671
local terms energy: -266.652263
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -35.035
tors. eta vs tors. theta energy: -74.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -923.096931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.096931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.096931 (E_RNA)
where:
Base-Base interactions energy: -624.350
where: short stacking energy: -269.853
Base-Backbone interact. energy: -1.220
local terms energy: -297.527550
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -61.786
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -75.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -810.456322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.456322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.456322 (E_RNA)
where:
Base-Base interactions energy: -547.058
where: short stacking energy: -245.613
Base-Backbone interact. energy: -2.392
local terms energy: -261.005851
where:
bonds (distance) C4'-P energy: -57.703
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -51.905
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -66.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -629.231926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.231926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.231926 (E_RNA)
where:
Base-Base interactions energy: -391.353
where: short stacking energy: -193.288
Base-Backbone interact. energy: 5.484
local terms energy: -243.363065
where:
bonds (distance) C4'-P energy: -61.073
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -48.521
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -49.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -550.955241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.955241 (E_RNA)
where:
Base-Base interactions energy: -344.613
where: short stacking energy: -158.892
Base-Backbone interact. energy: 0.356
local terms energy: -206.698335
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -48.378
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -451.751833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.751833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.751833 (E_RNA)
where:
Base-Base interactions energy: -260.969
where: short stacking energy: -133.625
Base-Backbone interact. energy: -0.868
local terms energy: -189.915409
where:
bonds (distance) C4'-P energy: -44.018
bonds (distance) P-C4' energy: -50.925
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -361.776137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.776137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.776137 (E_RNA)
where:
Base-Base interactions energy: -190.702
where: short stacking energy: -112.010
Base-Backbone interact. energy: -1.166
local terms energy: -169.908915
where:
bonds (distance) C4'-P energy: -46.320
bonds (distance) P-C4' energy: -47.256
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -999.558073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.558073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.558073 (E_RNA)
where:
Base-Base interactions energy: -688.987
where: short stacking energy: -305.927
Base-Backbone interact. energy: -1.470
local terms energy: -309.100998
where:
bonds (distance) C4'-P energy: -57.783
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: -91.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -955.071830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.071830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.071830 (E_RNA)
where:
Base-Base interactions energy: -652.924
where: short stacking energy: -279.464
Base-Backbone interact. energy: -2.118
local terms energy: -300.029684
where:
bonds (distance) C4'-P energy: -53.459
bonds (distance) P-C4' energy: -50.753
flat angles C4'-P-C4' energy: -73.423
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -83.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -949.312397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.312397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.312397 (E_RNA)
where:
Base-Base interactions energy: -640.775
where: short stacking energy: -289.075
Base-Backbone interact. energy: -0.579
local terms energy: -307.957935
where:
bonds (distance) C4'-P energy: -48.329
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -96.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -879.805962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.805962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.805962 (E_RNA)
where:
Base-Base interactions energy: -599.934
where: short stacking energy: -253.807
Base-Backbone interact. energy: -0.711
local terms energy: -279.161220
where:
bonds (distance) C4'-P energy: -58.942
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -58.116
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -76.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -908.584908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.584908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.584908 (E_RNA)
where:
Base-Base interactions energy: -637.774
where: short stacking energy: -282.572
Base-Backbone interact. energy: -0.697
local terms energy: -270.114222
where:
bonds (distance) C4'-P energy: -54.333
bonds (distance) P-C4' energy: -42.011
flat angles C4'-P-C4' energy: -59.587
flat angles P-C4'-P energy: -28.395
tors. eta vs tors. theta energy: -85.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -753.175963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.175963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.175963 (E_RNA)
where:
Base-Base interactions energy: -500.131
where: short stacking energy: -214.873
Base-Backbone interact. energy: -0.320
local terms energy: -252.725001
where:
bonds (distance) C4'-P energy: -53.951
bonds (distance) P-C4' energy: -57.758
flat angles C4'-P-C4' energy: -56.340
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -48.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -600.685782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.685782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.685782 (E_RNA)
where:
Base-Base interactions energy: -378.112
where: short stacking energy: -178.315
Base-Backbone interact. energy: -1.356
local terms energy: -221.217580
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -44.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -498.964770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.964770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.964770 (E_RNA)
where:
Base-Base interactions energy: -302.243
where: short stacking energy: -134.116
Base-Backbone interact. energy: -1.384
local terms energy: -195.337819
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -440.419206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.419206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.419206 (E_RNA)
where:
Base-Base interactions energy: -246.176
where: short stacking energy: -118.454
Base-Backbone interact. energy: -2.477
local terms energy: -191.766287
where:
bonds (distance) C4'-P energy: -44.827
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -43.036
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -367.276779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.276779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.276779 (E_RNA)
where:
Base-Base interactions energy: -206.615
where: short stacking energy: -114.605
Base-Backbone interact. energy: -0.642
local terms energy: -160.019861
where:
bonds (distance) C4'-P energy: -33.552
bonds (distance) P-C4' energy: -56.412
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -9.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -993.595822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.595822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.595822 (E_RNA)
where:
Base-Base interactions energy: -670.528
where: short stacking energy: -287.304
Base-Backbone interact. energy: -0.747
local terms energy: -322.320888
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -58.395
flat angles C4'-P-C4' energy: -66.267
flat angles P-C4'-P energy: -51.125
tors. eta vs tors. theta energy: -90.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -956.372504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.372504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.372504 (E_RNA)
where:
Base-Base interactions energy: -643.462
where: short stacking energy: -292.207
Base-Backbone interact. energy: -0.662
local terms energy: -312.248985
where:
bonds (distance) C4'-P energy: -51.652
bonds (distance) P-C4' energy: -57.016
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -913.332969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.332969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.332969 (E_RNA)
where:
Base-Base interactions energy: -631.124
where: short stacking energy: -274.822
Base-Backbone interact. energy: 0.376
local terms energy: -282.585618
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -56.078
flat angles P-C4'-P energy: -46.616
tors. eta vs tors. theta energy: -78.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -836.930374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.930374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.930374 (E_RNA)
where:
Base-Base interactions energy: -580.673
where: short stacking energy: -245.073
Base-Backbone interact. energy: -1.759
local terms energy: -254.499296
where:
bonds (distance) C4'-P energy: -45.294
bonds (distance) P-C4' energy: -37.833
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -39.552
tors. eta vs tors. theta energy: -79.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -864.539118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.539118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.539118 (E_RNA)
where:
Base-Base interactions energy: -569.105
where: short stacking energy: -260.053
Base-Backbone interact. energy: -0.048
local terms energy: -295.386157
where:
bonds (distance) C4'-P energy: -56.007
bonds (distance) P-C4' energy: -50.945
flat angles C4'-P-C4' energy: -58.991
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -84.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -738.587537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.587537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.587537 (E_RNA)
where:
Base-Base interactions energy: -498.044
where: short stacking energy: -213.427
Base-Backbone interact. energy: -0.073
local terms energy: -240.470513
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -44.244
tors. eta vs tors. theta energy: -54.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -626.269452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.269452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.269452 (E_RNA)
where:
Base-Base interactions energy: -405.878
where: short stacking energy: -190.863
Base-Backbone interact. energy: -1.598
local terms energy: -218.792798
where:
bonds (distance) C4'-P energy: -46.481
bonds (distance) P-C4' energy: -46.606
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -45.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -463.556076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.556076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.556076 (E_RNA)
where:
Base-Base interactions energy: -249.894
where: short stacking energy: -122.833
Base-Backbone interact. energy: -0.780
local terms energy: -212.881547
where:
bonds (distance) C4'-P energy: -52.519
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -442.312917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.312917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.312917 (E_RNA)
where:
Base-Base interactions energy: -274.764
where: short stacking energy: -136.611
Base-Backbone interact. energy: -1.523
local terms energy: -166.025917
where:
bonds (distance) C4'-P energy: -38.521
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -46.792
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -374.278265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.278265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.278265 (E_RNA)
where:
Base-Base interactions energy: -202.265
where: short stacking energy: -103.456
Base-Backbone interact. energy: -0.492
local terms energy: -171.521478
where:
bonds (distance) C4'-P energy: -51.436
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1009.245444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.245444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.245444 (E_RNA)
where:
Base-Base interactions energy: -688.400
where: short stacking energy: -306.150
Base-Backbone interact. energy: -2.340
local terms energy: -318.506022
where:
bonds (distance) C4'-P energy: -58.588
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -64.589
flat angles P-C4'-P energy: -46.908
tors. eta vs tors. theta energy: -94.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -980.798632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.798632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.798632 (E_RNA)
where:
Base-Base interactions energy: -661.722
where: short stacking energy: -303.072
Base-Backbone interact. energy: -0.325
local terms energy: -318.751758
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -99.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -964.308182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.308182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.308182 (E_RNA)
where:
Base-Base interactions energy: -667.958
where: short stacking energy: -276.653
Base-Backbone interact. energy: -0.940
local terms energy: -295.410522
where:
bonds (distance) C4'-P energy: -56.916
bonds (distance) P-C4' energy: -58.791
flat angles C4'-P-C4' energy: -58.814
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -79.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -850.773555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.773555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.773555 (E_RNA)
where:
Base-Base interactions energy: -555.218
where: short stacking energy: -258.697
Base-Backbone interact. energy: -0.432
local terms energy: -295.123237
where:
bonds (distance) C4'-P energy: -49.460
bonds (distance) P-C4' energy: -58.615
flat angles C4'-P-C4' energy: -65.863
flat angles P-C4'-P energy: -40.220
tors. eta vs tors. theta energy: -80.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -888.506108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.506108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.506108 (E_RNA)
where:
Base-Base interactions energy: -628.810
where: short stacking energy: -271.372
Base-Backbone interact. energy: -3.022
local terms energy: -256.674672
where:
bonds (distance) C4'-P energy: -48.390
bonds (distance) P-C4' energy: -49.749
flat angles C4'-P-C4' energy: -59.001
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -77.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -748.672839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.672839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.672839 (E_RNA)
where:
Base-Base interactions energy: -514.495
where: short stacking energy: -209.912
Base-Backbone interact. energy: -0.138
local terms energy: -234.040135
where:
bonds (distance) C4'-P energy: -52.195
bonds (distance) P-C4' energy: -51.557
flat angles C4'-P-C4' energy: -45.769
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -57.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -589.623232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.623232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.623232 (E_RNA)
where:
Base-Base interactions energy: -366.975
where: short stacking energy: -182.725
Base-Backbone interact. energy: -0.394
local terms energy: -222.255015
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -53.777
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -41.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -493.968698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.968698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.968698 (E_RNA)
where:
Base-Base interactions energy: -275.070
where: short stacking energy: -152.053
Base-Backbone interact. energy: 0.086
local terms energy: -218.984085
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -56.949
flat angles C4'-P-C4' energy: -48.976
flat angles P-C4'-P energy: -34.233
tors. eta vs tors. theta energy: -29.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -394.760353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.760353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.760353 (E_RNA)
where:
Base-Base interactions energy: -198.790
where: short stacking energy: -104.357
Base-Backbone interact. energy: -0.561
local terms energy: -195.408625
where:
bonds (distance) C4'-P energy: -50.843
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -45.300
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -431.379781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.379781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.379781 (E_RNA)
where:
Base-Base interactions energy: -262.256
where: short stacking energy: -133.319
Base-Backbone interact. energy: 0.102
local terms energy: -169.226078
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -36.306
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -990.688742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.688742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.688742 (E_RNA)
where:
Base-Base interactions energy: -689.494
where: short stacking energy: -295.258
Base-Backbone interact. energy: -0.845
local terms energy: -300.350033
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -62.042
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: -90.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -976.858390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.858390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.858390 (E_RNA)
where:
Base-Base interactions energy: -667.566
where: short stacking energy: -306.340
Base-Backbone interact. energy: 1.279
local terms energy: -310.571500
where:
bonds (distance) C4'-P energy: -52.742
bonds (distance) P-C4' energy: -59.477
flat angles C4'-P-C4' energy: -63.517
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -94.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -940.821948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.821948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.821948 (E_RNA)
where:
Base-Base interactions energy: -635.685
where: short stacking energy: -277.106
Base-Backbone interact. energy: -3.215
local terms energy: -301.921522
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -63.733
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -89.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -887.038950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.038950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.038950 (E_RNA)
where:
Base-Base interactions energy: -608.549
where: short stacking energy: -268.234
Base-Backbone interact. energy: 0.028
local terms energy: -278.517895
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -57.475
flat angles C4'-P-C4' energy: -56.398
flat angles P-C4'-P energy: -39.106
tors. eta vs tors. theta energy: -79.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -835.192551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.192551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.192551 (E_RNA)
where:
Base-Base interactions energy: -565.839
where: short stacking energy: -244.999
Base-Backbone interact. energy: -1.773
local terms energy: -267.580892
where:
bonds (distance) C4'-P energy: -55.513
bonds (distance) P-C4' energy: -58.023
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -67.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -758.678519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.678519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.678519 (E_RNA)
where:
Base-Base interactions energy: -536.278
where: short stacking energy: -226.887
Base-Backbone interact. energy: 0.485
local terms energy: -222.885560
where:
bonds (distance) C4'-P energy: -47.693
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -45.905
flat angles P-C4'-P energy: -34.520
tors. eta vs tors. theta energy: -58.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -591.181102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.181102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.181102 (E_RNA)
where:
Base-Base interactions energy: -352.318
where: short stacking energy: -179.806
Base-Backbone interact. energy: 1.874
local terms energy: -240.736730
where:
bonds (distance) C4'-P energy: -49.671
bonds (distance) P-C4' energy: -54.511
flat angles C4'-P-C4' energy: -49.470
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -45.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -487.380611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.380611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.380611 (E_RNA)
where:
Base-Base interactions energy: -293.996
where: short stacking energy: -153.847
Base-Backbone interact. energy: -0.694
local terms energy: -192.690110
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -48.069
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -28.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -384.253512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.253512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.253512 (E_RNA)
where:
Base-Base interactions energy: -207.970
where: short stacking energy: -98.678
Base-Backbone interact. energy: -1.395
local terms energy: -174.888324
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -54.724
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -439.504779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.504779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.504779 (E_RNA)
where:
Base-Base interactions energy: -255.251
where: short stacking energy: -128.355
Base-Backbone interact. energy: -1.720
local terms energy: -182.532997
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -50.284
flat angles P-C4'-P energy: -26.774
tors. eta vs tors. theta energy: -25.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1005.083982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.083982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.083982 (E_RNA)
where:
Base-Base interactions energy: -698.872
where: short stacking energy: -311.883
Base-Backbone interact. energy: -1.018
local terms energy: -305.194322
where:
bonds (distance) C4'-P energy: -52.009
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -63.041
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -91.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -987.603111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.603111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.603111 (E_RNA)
where:
Base-Base interactions energy: -671.921
where: short stacking energy: -302.823
Base-Backbone interact. energy: -0.033
local terms energy: -315.649547
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -68.206
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -96.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -938.644504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.644504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.644504 (E_RNA)
where:
Base-Base interactions energy: -643.624
where: short stacking energy: -282.067
Base-Backbone interact. energy: -0.006
local terms energy: -295.014643
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -64.897
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -891.054702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.054702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.054702 (E_RNA)
where:
Base-Base interactions energy: -623.510
where: short stacking energy: -271.390
Base-Backbone interact. energy: -0.962
local terms energy: -266.582467
where:
bonds (distance) C4'-P energy: -49.247
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -63.450
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -78.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -804.207205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.207205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.207205 (E_RNA)
where:
Base-Base interactions energy: -541.199
where: short stacking energy: -226.221
Base-Backbone interact. energy: -0.148
local terms energy: -262.860376
where:
bonds (distance) C4'-P energy: -52.348
bonds (distance) P-C4' energy: -47.377
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -33.910
tors. eta vs tors. theta energy: -67.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -792.612497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.612497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.612497 (E_RNA)
where:
Base-Base interactions energy: -529.882
where: short stacking energy: -243.608
Base-Backbone interact. energy: 0.442
local terms energy: -263.172065
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: -77.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -595.719828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.719828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.719828 (E_RNA)
where:
Base-Base interactions energy: -371.237
where: short stacking energy: -179.419
Base-Backbone interact. energy: -1.048
local terms energy: -223.434974
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -33.689
tors. eta vs tors. theta energy: -42.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -510.705019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.705019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.705019 (E_RNA)
where:
Base-Base interactions energy: -310.587
where: short stacking energy: -158.975
Base-Backbone interact. energy: -0.822
local terms energy: -199.295694
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -502.943433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.943433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.943433 (E_RNA)
where:
Base-Base interactions energy: -293.930
where: short stacking energy: -143.888
Base-Backbone interact. energy: -1.211
local terms energy: -207.803170
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -49.560
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -23.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -350.126625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.126625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.126625 (E_RNA)
where:
Base-Base interactions energy: -185.606
where: short stacking energy: -91.417
Base-Backbone interact. energy: 2.023
local terms energy: -166.543767
where:
bonds (distance) C4'-P energy: -41.582
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -40.734
flat angles P-C4'-P energy: -28.496
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -998.841310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.841310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.841310 (E_RNA)
where:
Base-Base interactions energy: -676.588
where: short stacking energy: -298.464
Base-Backbone interact. energy: -0.602
local terms energy: -321.650363
where:
bonds (distance) C4'-P energy: -54.520
bonds (distance) P-C4' energy: -65.088
flat angles C4'-P-C4' energy: -67.233
flat angles P-C4'-P energy: -44.841
tors. eta vs tors. theta energy: -89.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -978.791924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.791924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.791924 (E_RNA)
where:
Base-Base interactions energy: -665.043
where: short stacking energy: -292.984
Base-Backbone interact. energy: -0.576
local terms energy: -313.173390
where:
bonds (distance) C4'-P energy: -57.591
bonds (distance) P-C4' energy: -58.343
flat angles C4'-P-C4' energy: -58.218
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -97.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -946.422000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.422000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.422000 (E_RNA)
where:
Base-Base interactions energy: -654.609
where: short stacking energy: -271.012
Base-Backbone interact. energy: -2.343
local terms energy: -289.470169
where:
bonds (distance) C4'-P energy: -49.345
bonds (distance) P-C4' energy: -56.277
flat angles C4'-P-C4' energy: -62.439
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -77.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -916.958240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.958240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.958240 (E_RNA)
where:
Base-Base interactions energy: -625.048
where: short stacking energy: -270.212
Base-Backbone interact. energy: -0.592
local terms energy: -291.318388
where:
bonds (distance) C4'-P energy: -48.364
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -44.064
tors. eta vs tors. theta energy: -77.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -854.854201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.854201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.854201 (E_RNA)
where:
Base-Base interactions energy: -583.938
where: short stacking energy: -268.000
Base-Backbone interact. energy: 0.328
local terms energy: -271.244551
where:
bonds (distance) C4'-P energy: -47.532
bonds (distance) P-C4' energy: -49.046
flat angles C4'-P-C4' energy: -63.635
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -72.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -795.421641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.421641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.421641 (E_RNA)
where:
Base-Base interactions energy: -525.123
where: short stacking energy: -241.079
Base-Backbone interact. energy: -2.730
local terms energy: -267.568466
where:
bonds (distance) C4'-P energy: -57.697
bonds (distance) P-C4' energy: -45.928
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -72.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -583.174639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.174639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.174639 (E_RNA)
where:
Base-Base interactions energy: -364.418
where: short stacking energy: -201.817
Base-Backbone interact. energy: 1.219
local terms energy: -219.976091
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -49.777
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -33.450
tors. eta vs tors. theta energy: -50.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -514.341852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.341852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.341852 (E_RNA)
where:
Base-Base interactions energy: -316.887
where: short stacking energy: -167.340
Base-Backbone interact. energy: -1.257
local terms energy: -196.197102
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -35.865
flat angles C4'-P-C4' energy: -45.467
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -40.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -471.484475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.484475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.484475 (E_RNA)
where:
Base-Base interactions energy: -294.329
where: short stacking energy: -126.455
Base-Backbone interact. energy: -0.785
local terms energy: -176.370011
where:
bonds (distance) C4'-P energy: -45.252
bonds (distance) P-C4' energy: -49.047
flat angles C4'-P-C4' energy: -44.772
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -10.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -321.323130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.323130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.323130 (E_RNA)
where:
Base-Base interactions energy: -153.379
where: short stacking energy: -94.484
Base-Backbone interact. energy: -0.944
local terms energy: -167.000166
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -43.967
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1013.014535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.014535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.014535 (E_RNA)
where:
Base-Base interactions energy: -692.820
where: short stacking energy: -302.729
Base-Backbone interact. energy: -0.448
local terms energy: -319.746374
where:
bonds (distance) C4'-P energy: -61.051
bonds (distance) P-C4' energy: -58.243
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -43.449
tors. eta vs tors. theta energy: -92.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -981.364620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.364620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.364620 (E_RNA)
where:
Base-Base interactions energy: -651.790
where: short stacking energy: -300.349
Base-Backbone interact. energy: -0.779
local terms energy: -328.795664
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -57.563
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -51.490
tors. eta vs tors. theta energy: -100.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -955.802330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.802330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.802330 (E_RNA)
where:
Base-Base interactions energy: -664.499
where: short stacking energy: -286.013
Base-Backbone interact. energy: -0.607
local terms energy: -290.696423
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -64.018
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -80.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -913.341722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.341722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.341722 (E_RNA)
where:
Base-Base interactions energy: -620.228
where: short stacking energy: -272.859
Base-Backbone interact. energy: -0.610
local terms energy: -292.503474
where:
bonds (distance) C4'-P energy: -57.216
bonds (distance) P-C4' energy: -49.907
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -82.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -850.032957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.032957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.032957 (E_RNA)
where:
Base-Base interactions energy: -562.976
where: short stacking energy: -264.194
Base-Backbone interact. energy: -1.238
local terms energy: -285.818733
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -58.532
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -75.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -798.453260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.453260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.453260 (E_RNA)
where:
Base-Base interactions energy: -547.145
where: short stacking energy: -250.739
Base-Backbone interact. energy: -1.019
local terms energy: -250.289328
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -45.313
flat angles C4'-P-C4' energy: -59.355
flat angles P-C4'-P energy: -38.518
tors. eta vs tors. theta energy: -73.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -497.462724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.462724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.462724 (E_RNA)
where:
Base-Base interactions energy: -283.123
where: short stacking energy: -147.367
Base-Backbone interact. energy: 0.805
local terms energy: -215.144695
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -53.568
flat angles C4'-P-C4' energy: -49.836
flat angles P-C4'-P energy: -31.895
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -492.355822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.355822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.355822 (E_RNA)
where:
Base-Base interactions energy: -297.701
where: short stacking energy: -133.255
Base-Backbone interact. energy: 1.656
local terms energy: -196.310424
where:
bonds (distance) C4'-P energy: -46.414
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -43.594
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -30.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -423.449695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.449695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.449695 (E_RNA)
where:
Base-Base interactions energy: -254.547
where: short stacking energy: -111.336
Base-Backbone interact. energy: -1.671
local terms energy: -167.231404
where:
bonds (distance) C4'-P energy: -41.527
bonds (distance) P-C4' energy: -38.905
flat angles C4'-P-C4' energy: -49.850
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -346.774097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.774097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.774097 (E_RNA)
where:
Base-Base interactions energy: -163.241
where: short stacking energy: -91.197
Base-Backbone interact. energy: -0.320
local terms energy: -183.213959
where:
bonds (distance) C4'-P energy: -48.344
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1000.167135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.167135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.167135 (E_RNA)
where:
Base-Base interactions energy: -692.416
where: short stacking energy: -290.972
Base-Backbone interact. energy: -0.142
local terms energy: -307.608862
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -66.771
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -87.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -981.580471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.580471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.580471 (E_RNA)
where:
Base-Base interactions energy: -668.904
where: short stacking energy: -300.561
Base-Backbone interact. energy: -0.022
local terms energy: -312.654402
where:
bonds (distance) C4'-P energy: -54.367
bonds (distance) P-C4' energy: -50.246
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -44.352
tors. eta vs tors. theta energy: -100.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -969.964555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.964555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.964555 (E_RNA)
where:
Base-Base interactions energy: -666.103
where: short stacking energy: -275.419
Base-Backbone interact. energy: 0.395
local terms energy: -304.256941
where:
bonds (distance) C4'-P energy: -51.986
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -48.552
tors. eta vs tors. theta energy: -83.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -901.665175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.665175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.665175 (E_RNA)
where:
Base-Base interactions energy: -621.192
where: short stacking energy: -275.430
Base-Backbone interact. energy: 0.835
local terms energy: -281.308462
where:
bonds (distance) C4'-P energy: -52.205
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -56.476
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -82.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -828.630513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.630513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.630513 (E_RNA)
where:
Base-Base interactions energy: -557.190
where: short stacking energy: -225.572
Base-Backbone interact. energy: -0.912
local terms energy: -270.528874
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -54.229
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -67.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -794.092868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.092868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.092868 (E_RNA)
where:
Base-Base interactions energy: -528.942
where: short stacking energy: -230.021
Base-Backbone interact. energy: -3.322
local terms energy: -261.828625
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -64.051
flat angles P-C4'-P energy: -41.100
tors. eta vs tors. theta energy: -64.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -484.781372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.781372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.781372 (E_RNA)
where:
Base-Base interactions energy: -293.047
where: short stacking energy: -162.852
Base-Backbone interact. energy: -0.186
local terms energy: -191.548726
where:
bonds (distance) C4'-P energy: -48.247
bonds (distance) P-C4' energy: -35.411
flat angles C4'-P-C4' energy: -45.908
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -28.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -510.913766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.913766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.913766 (E_RNA)
where:
Base-Base interactions energy: -300.681
where: short stacking energy: -151.444
Base-Backbone interact. energy: -0.638
local terms energy: -209.594595
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -48.864
flat angles C4'-P-C4' energy: -45.870
flat angles P-C4'-P energy: -36.225
tors. eta vs tors. theta energy: -27.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -439.948094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.948094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.948094 (E_RNA)
where:
Base-Base interactions energy: -280.026
where: short stacking energy: -129.936
Base-Backbone interact. energy: -0.972
local terms energy: -158.950687
where:
bonds (distance) C4'-P energy: -31.041
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -389.198463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.198463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.198463 (E_RNA)
where:
Base-Base interactions energy: -227.651
where: short stacking energy: -110.526
Base-Backbone interact. energy: 1.688
local terms energy: -163.234650
where:
bonds (distance) C4'-P energy: -50.169
bonds (distance) P-C4' energy: -42.493
flat angles C4'-P-C4' energy: -36.507
flat angles P-C4'-P energy: -18.971
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -989.383740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.383740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.383740 (E_RNA)
where:
Base-Base interactions energy: -681.365
where: short stacking energy: -308.660
Base-Backbone interact. energy: -1.007
local terms energy: -307.011646
where:
bonds (distance) C4'-P energy: -49.172
bonds (distance) P-C4' energy: -55.906
flat angles C4'-P-C4' energy: -63.534
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: -98.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1012.486577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.486577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.486577 (E_RNA)
where:
Base-Base interactions energy: -690.806
where: short stacking energy: -303.005
Base-Backbone interact. energy: -0.380
local terms energy: -321.300463
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -50.737
flat angles C4'-P-C4' energy: -66.284
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: -91.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -980.270992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.270992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.270992 (E_RNA)
where:
Base-Base interactions energy: -667.862
where: short stacking energy: -293.796
Base-Backbone interact. energy: -1.574
local terms energy: -310.835055
where:
bonds (distance) C4'-P energy: -55.234
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -65.515
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -86.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -896.993571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.993571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.993571 (E_RNA)
where:
Base-Base interactions energy: -618.994
where: short stacking energy: -266.091
Base-Backbone interact. energy: -0.432
local terms energy: -277.567536
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -41.670
flat angles C4'-P-C4' energy: -61.907
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -82.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -839.386659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.386659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.386659 (E_RNA)
where:
Base-Base interactions energy: -568.041
where: short stacking energy: -244.311
Base-Backbone interact. energy: 0.246
local terms energy: -271.591291
where:
bonds (distance) C4'-P energy: -48.030
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -55.423
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -68.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -768.660340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.660340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.660340 (E_RNA)
where:
Base-Base interactions energy: -529.847
where: short stacking energy: -235.755
Base-Backbone interact. energy: -1.201
local terms energy: -237.611848
where:
bonds (distance) C4'-P energy: -43.743
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -53.575
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -60.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -527.692527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.692527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.692527 (E_RNA)
where:
Base-Base interactions energy: -311.883
where: short stacking energy: -155.360
Base-Backbone interact. energy: 1.312
local terms energy: -217.121419
where:
bonds (distance) C4'-P energy: -53.649
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -42.224
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -30.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -464.185460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.185460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.185460 (E_RNA)
where:
Base-Base interactions energy: -263.129
where: short stacking energy: -137.254
Base-Backbone interact. energy: -2.332
local terms energy: -198.724674
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -57.566
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -431.790290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.790290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.790290 (E_RNA)
where:
Base-Base interactions energy: -246.044
where: short stacking energy: -135.204
Base-Backbone interact. energy: -0.861
local terms energy: -184.885375
where:
bonds (distance) C4'-P energy: -40.556
bonds (distance) P-C4' energy: -45.814
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -360.021395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.021395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.021395 (E_RNA)
where:
Base-Base interactions energy: -207.423
where: short stacking energy: -102.609
Base-Backbone interact. energy: 0.574
local terms energy: -153.172024
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -38.623
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -7.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -991.318593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.318593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.318593 (E_RNA)
where:
Base-Base interactions energy: -677.266
where: short stacking energy: -307.353
Base-Backbone interact. energy: 0.639
local terms energy: -314.691365
where:
bonds (distance) C4'-P energy: -56.971
bonds (distance) P-C4' energy: -56.096
flat angles C4'-P-C4' energy: -64.441
flat angles P-C4'-P energy: -36.745
tors. eta vs tors. theta energy: -100.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -993.775726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.775726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.775726 (E_RNA)
where:
Base-Base interactions energy: -691.095
where: short stacking energy: -292.538
Base-Backbone interact. energy: -0.533
local terms energy: -302.147660
where:
bonds (distance) C4'-P energy: -59.127
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -66.767
flat angles P-C4'-P energy: -49.666
tors. eta vs tors. theta energy: -84.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -978.393166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.393166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.393166 (E_RNA)
where:
Base-Base interactions energy: -666.056
where: short stacking energy: -296.444
Base-Backbone interact. energy: -0.457
local terms energy: -311.879451
where:
bonds (distance) C4'-P energy: -51.315
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -60.877
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -92.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -902.746989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.746989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.746989 (E_RNA)
where:
Base-Base interactions energy: -622.947
where: short stacking energy: -279.081
Base-Backbone interact. energy: -1.784
local terms energy: -278.016102
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -84.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -818.686087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.686087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.686087 (E_RNA)
where:
Base-Base interactions energy: -548.283
where: short stacking energy: -243.327
Base-Backbone interact. energy: -0.745
local terms energy: -269.657825
where:
bonds (distance) C4'-P energy: -53.658
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -54.576
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -72.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -802.036500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.036500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.036500 (E_RNA)
where:
Base-Base interactions energy: -550.034
where: short stacking energy: -241.557
Base-Backbone interact. energy: -1.701
local terms energy: -250.301428
where:
bonds (distance) C4'-P energy: -51.195
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -52.259
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -64.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -557.506852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.506852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.506852 (E_RNA)
where:
Base-Base interactions energy: -337.367
where: short stacking energy: -168.704
Base-Backbone interact. energy: -1.075
local terms energy: -219.064192
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -50.751
flat angles C4'-P-C4' energy: -45.713
flat angles P-C4'-P energy: -34.117
tors. eta vs tors. theta energy: -41.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -494.341953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.341953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.341953 (E_RNA)
where:
Base-Base interactions energy: -304.221
where: short stacking energy: -157.787
Base-Backbone interact. energy: 0.683
local terms energy: -190.804353
where:
bonds (distance) C4'-P energy: -44.215
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -36.771
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -33.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -473.231933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.231933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.231933 (E_RNA)
where:
Base-Base interactions energy: -287.671
where: short stacking energy: -127.545
Base-Backbone interact. energy: -0.934
local terms energy: -184.626979
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -30.929
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -361.398174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.398174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.398174 (E_RNA)
where:
Base-Base interactions energy: -203.074
where: short stacking energy: -101.003
Base-Backbone interact. energy: 0.243
local terms energy: -158.567158
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -55.748
flat angles C4'-P-C4' energy: -41.869
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1006.760617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.760617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.760617 (E_RNA)
where:
Base-Base interactions energy: -685.430
where: short stacking energy: -301.419
Base-Backbone interact. energy: -0.531
local terms energy: -320.798917
where:
bonds (distance) C4'-P energy: -56.870
bonds (distance) P-C4' energy: -59.949
flat angles C4'-P-C4' energy: -67.085
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -90.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -997.917374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.917374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.917374 (E_RNA)
where:
Base-Base interactions energy: -675.033
where: short stacking energy: -307.319
Base-Backbone interact. energy: -0.209
local terms energy: -322.674780
where:
bonds (distance) C4'-P energy: -53.580
bonds (distance) P-C4' energy: -62.058
flat angles C4'-P-C4' energy: -65.960
flat angles P-C4'-P energy: -45.806
tors. eta vs tors. theta energy: -95.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -964.098244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.098244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.098244 (E_RNA)
where:
Base-Base interactions energy: -658.167
where: short stacking energy: -286.459
Base-Backbone interact. energy: -1.930
local terms energy: -304.001768
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -60.985
flat angles C4'-P-C4' energy: -61.417
flat angles P-C4'-P energy: -47.128
tors. eta vs tors. theta energy: -86.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -898.789613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.789613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.789613 (E_RNA)
where:
Base-Base interactions energy: -627.934
where: short stacking energy: -282.147
Base-Backbone interact. energy: -0.135
local terms energy: -270.720657
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -51.100
flat angles C4'-P-C4' energy: -60.248
flat angles P-C4'-P energy: -41.315
tors. eta vs tors. theta energy: -74.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -815.245715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.245715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.245715 (E_RNA)
where:
Base-Base interactions energy: -570.369
where: short stacking energy: -251.805
Base-Backbone interact. energy: -0.837
local terms energy: -244.040306
where:
bonds (distance) C4'-P energy: -42.081
bonds (distance) P-C4' energy: -53.053
flat angles C4'-P-C4' energy: -49.958
flat angles P-C4'-P energy: -29.056
tors. eta vs tors. theta energy: -69.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -786.754828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.754828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.754828 (E_RNA)
where:
Base-Base interactions energy: -515.583
where: short stacking energy: -229.787
Base-Backbone interact. energy: -1.140
local terms energy: -270.031739
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -68.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -559.956704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.956704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.956704 (E_RNA)
where:
Base-Base interactions energy: -335.829
where: short stacking energy: -165.679
Base-Backbone interact. energy: -1.221
local terms energy: -222.906991
where:
bonds (distance) C4'-P energy: -54.371
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -37.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -505.468905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.468905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.468905 (E_RNA)
where:
Base-Base interactions energy: -293.561
where: short stacking energy: -154.042
Base-Backbone interact. energy: -0.137
local terms energy: -211.770719
where:
bonds (distance) C4'-P energy: -55.882
bonds (distance) P-C4' energy: -58.281
flat angles C4'-P-C4' energy: -55.248
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -28.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -475.216304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.216304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.216304 (E_RNA)
where:
Base-Base interactions energy: -283.898
where: short stacking energy: -139.380
Base-Backbone interact. energy: 0.026
local terms energy: -191.344579
where:
bonds (distance) C4'-P energy: -48.613
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -46.483
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -361.428107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.428107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.428107 (E_RNA)
where:
Base-Base interactions energy: -172.987
where: short stacking energy: -108.092
Base-Backbone interact. energy: -1.222
local terms energy: -187.219821
where:
bonds (distance) C4'-P energy: -37.523
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -45.990
flat angles P-C4'-P energy: -32.045
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -995.077456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.077456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.077456 (E_RNA)
where:
Base-Base interactions energy: -697.741
where: short stacking energy: -303.677
Base-Backbone interact. energy: -0.494
local terms energy: -296.843179
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -61.577
flat angles C4'-P-C4' energy: -51.208
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -94.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -993.920833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.920833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.920833 (E_RNA)
where:
Base-Base interactions energy: -670.366
where: short stacking energy: -302.476
Base-Backbone interact. energy: -0.929
local terms energy: -322.626002
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -57.272
flat angles C4'-P-C4' energy: -67.407
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -98.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -952.904596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.904596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.904596 (E_RNA)
where:
Base-Base interactions energy: -656.694
where: short stacking energy: -293.362
Base-Backbone interact. energy: -0.536
local terms energy: -295.674270
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -64.169
flat angles P-C4'-P energy: -41.448
tors. eta vs tors. theta energy: -80.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -861.137697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.137697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.137697 (E_RNA)
where:
Base-Base interactions energy: -582.013
where: short stacking energy: -266.908
Base-Backbone interact. energy: -1.055
local terms energy: -278.068970
where:
bonds (distance) C4'-P energy: -50.184
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -65.652
flat angles P-C4'-P energy: -47.705
tors. eta vs tors. theta energy: -73.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -857.503662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.503662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.503662 (E_RNA)
where:
Base-Base interactions energy: -583.079
where: short stacking energy: -243.134
Base-Backbone interact. energy: 0.248
local terms energy: -274.672832
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -53.734
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -74.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -809.440851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.440851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.440851 (E_RNA)
where:
Base-Base interactions energy: -555.362
where: short stacking energy: -239.684
Base-Backbone interact. energy: -0.739
local terms energy: -253.339856
where:
bonds (distance) C4'-P energy: -41.408
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -54.245
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -72.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -522.646990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.646990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.646990 (E_RNA)
where:
Base-Base interactions energy: -321.671
where: short stacking energy: -169.783
Base-Backbone interact. energy: 0.057
local terms energy: -201.033000
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -49.934
flat angles P-C4'-P energy: -16.718
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -452.041683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.041683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.041683 (E_RNA)
where:
Base-Base interactions energy: -262.573
where: short stacking energy: -144.899
Base-Backbone interact. energy: -2.204
local terms energy: -187.264996
where:
bonds (distance) C4'-P energy: -39.846
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -26.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -473.646638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.646638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.646638 (E_RNA)
where:
Base-Base interactions energy: -287.331
where: short stacking energy: -142.402
Base-Backbone interact. energy: -1.345
local terms energy: -184.970773
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -50.740
flat angles C4'-P-C4' energy: -45.470
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -22.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -335.630817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.630817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.630817 (E_RNA)
where:
Base-Base interactions energy: -174.718
where: short stacking energy: -100.766
Base-Backbone interact. energy: 2.122
local terms energy: -163.035617
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -55.043
flat angles C4'-P-C4' energy: -48.334
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -993.414503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.414503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.414503 (E_RNA)
where:
Base-Base interactions energy: -678.887
where: short stacking energy: -302.717
Base-Backbone interact. energy: -1.155
local terms energy: -313.372552
where:
bonds (distance) C4'-P energy: -54.060
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -62.824
flat angles P-C4'-P energy: -43.713
tors. eta vs tors. theta energy: -97.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -990.035934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.035934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.035934 (E_RNA)
where:
Base-Base interactions energy: -673.342
where: short stacking energy: -301.803
Base-Backbone interact. energy: -0.358
local terms energy: -316.335159
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -63.061
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -92.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -959.155226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.155226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.155226 (E_RNA)
where:
Base-Base interactions energy: -654.035
where: short stacking energy: -294.891
Base-Backbone interact. energy: -0.728
local terms energy: -304.391889
where:
bonds (distance) C4'-P energy: -50.986
bonds (distance) P-C4' energy: -54.528
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -47.292
tors. eta vs tors. theta energy: -86.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -829.205123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.205123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.205123 (E_RNA)
where:
Base-Base interactions energy: -568.514
where: short stacking energy: -247.900
Base-Backbone interact. energy: -0.300
local terms energy: -260.391191
where:
bonds (distance) C4'-P energy: -50.052
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -48.408
flat angles P-C4'-P energy: -40.449
tors. eta vs tors. theta energy: -72.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -830.933463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.933463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.933463 (E_RNA)
where:
Base-Base interactions energy: -569.964
where: short stacking energy: -254.092
Base-Backbone interact. energy: -1.727
local terms energy: -259.242392
where:
bonds (distance) C4'-P energy: -45.075
bonds (distance) P-C4' energy: -50.366
flat angles C4'-P-C4' energy: -64.403
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -74.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -811.656439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.656439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.656439 (E_RNA)
where:
Base-Base interactions energy: -541.363
where: short stacking energy: -241.442
Base-Backbone interact. energy: -0.497
local terms energy: -269.796054
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -31.179
tors. eta vs tors. theta energy: -82.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -506.024088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.024088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.024088 (E_RNA)
where:
Base-Base interactions energy: -300.198
where: short stacking energy: -156.708
Base-Backbone interact. energy: 1.148
local terms energy: -206.974357
where:
bonds (distance) C4'-P energy: -52.895
bonds (distance) P-C4' energy: -44.196
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -32.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -496.325144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.325144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.325144 (E_RNA)
where:
Base-Base interactions energy: -303.150
where: short stacking energy: -151.454
Base-Backbone interact. energy: -0.976
local terms energy: -192.198635
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -52.729
flat angles C4'-P-C4' energy: -50.316
flat angles P-C4'-P energy: -31.000
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -459.825214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.825214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.825214 (E_RNA)
where:
Base-Base interactions energy: -270.886
where: short stacking energy: -127.026
Base-Backbone interact. energy: -2.844
local terms energy: -186.094576
where:
bonds (distance) C4'-P energy: -50.478
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -38.729
flat angles P-C4'-P energy: -25.990
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -343.281433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.281433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.281433 (E_RNA)
where:
Base-Base interactions energy: -169.117
where: short stacking energy: -102.695
Base-Backbone interact. energy: 1.029
local terms energy: -175.193563
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -46.350
flat angles C4'-P-C4' energy: -39.454
flat angles P-C4'-P energy: -34.863
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -999.341836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.341836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.341836 (E_RNA)
where:
Base-Base interactions energy: -686.631
where: short stacking energy: -297.965
Base-Backbone interact. energy: -0.232
local terms energy: -312.479212
where:
bonds (distance) C4'-P energy: -59.874
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -59.615
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -94.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -984.802031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.802031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.802031 (E_RNA)
where:
Base-Base interactions energy: -667.448
where: short stacking energy: -299.888
Base-Backbone interact. energy: -1.674
local terms energy: -315.679670
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -59.895
flat angles C4'-P-C4' energy: -60.777
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -95.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -977.084474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.084474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.084474 (E_RNA)
where:
Base-Base interactions energy: -673.168
where: short stacking energy: -284.121
Base-Backbone interact. energy: -0.953
local terms energy: -302.963230
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -57.128
flat angles C4'-P-C4' energy: -69.619
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -86.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -875.700983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.700983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.700983 (E_RNA)
where:
Base-Base interactions energy: -584.511
where: short stacking energy: -271.682
Base-Backbone interact. energy: -1.045
local terms energy: -290.145585
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -64.565
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -76.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -852.967257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.967257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.967257 (E_RNA)
where:
Base-Base interactions energy: -575.965
where: short stacking energy: -243.164
Base-Backbone interact. energy: -0.596
local terms energy: -276.406811
where:
bonds (distance) C4'-P energy: -55.025
bonds (distance) P-C4' energy: -58.302
flat angles C4'-P-C4' energy: -64.111
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -69.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -813.040814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.040814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.040814 (E_RNA)
where:
Base-Base interactions energy: -558.155
where: short stacking energy: -244.085
Base-Backbone interact. energy: -0.716
local terms energy: -254.169945
where:
bonds (distance) C4'-P energy: -51.874
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -71.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -523.555996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.555996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.555996 (E_RNA)
where:
Base-Base interactions energy: -316.692
where: short stacking energy: -158.312
Base-Backbone interact. energy: -1.002
local terms energy: -205.862637
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -54.386
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -504.079342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.079342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.079342 (E_RNA)
where:
Base-Base interactions energy: -300.230
where: short stacking energy: -179.386
Base-Backbone interact. energy: 0.215
local terms energy: -204.064178
where:
bonds (distance) C4'-P energy: -49.929
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -42.971
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -468.615479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.615479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.615479 (E_RNA)
where:
Base-Base interactions energy: -261.029
where: short stacking energy: -143.470
Base-Backbone interact. energy: -0.296
local terms energy: -207.290041
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -50.234
flat angles P-C4'-P energy: -28.882
tors. eta vs tors. theta energy: -34.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -337.617159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.617159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.617159 (E_RNA)
where:
Base-Base interactions energy: -178.923
where: short stacking energy: -85.578
Base-Backbone interact. energy: 1.852
local terms energy: -160.545852
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -49.314
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -996.172120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.172120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.172120 (E_RNA)
where:
Base-Base interactions energy: -672.863
where: short stacking energy: -321.023
Base-Backbone interact. energy: -0.003
local terms energy: -323.306025
where:
bonds (distance) C4'-P energy: -47.593
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -66.456
flat angles P-C4'-P energy: -48.268
tors. eta vs tors. theta energy: -98.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -980.542400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.542400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.542400 (E_RNA)
where:
Base-Base interactions energy: -681.424
where: short stacking energy: -284.013
Base-Backbone interact. energy: -1.508
local terms energy: -297.609465
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -56.039
flat angles C4'-P-C4' energy: -58.561
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -85.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -985.535713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.535713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.535713 (E_RNA)
where:
Base-Base interactions energy: -677.117
where: short stacking energy: -296.394
Base-Backbone interact. energy: -1.177
local terms energy: -307.241221
where:
bonds (distance) C4'-P energy: -60.464
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -62.965
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -87.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -893.880483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.880483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.880483 (E_RNA)
where:
Base-Base interactions energy: -619.692
where: short stacking energy: -271.628
Base-Backbone interact. energy: 1.428
local terms energy: -275.615843
where:
bonds (distance) C4'-P energy: -45.093
bonds (distance) P-C4' energy: -46.807
flat angles C4'-P-C4' energy: -59.369
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -81.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -830.411199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.411199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.411199 (E_RNA)
where:
Base-Base interactions energy: -551.181
where: short stacking energy: -245.492
Base-Backbone interact. energy: -2.481
local terms energy: -276.749739
where:
bonds (distance) C4'-P energy: -59.185
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -32.021
tors. eta vs tors. theta energy: -76.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -788.288605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.288605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.288605 (E_RNA)
where:
Base-Base interactions energy: -525.342
where: short stacking energy: -232.107
Base-Backbone interact. energy: -0.602
local terms energy: -262.343671
where:
bonds (distance) C4'-P energy: -46.941
bonds (distance) P-C4' energy: -55.176
flat angles C4'-P-C4' energy: -60.449
flat angles P-C4'-P energy: -32.289
tors. eta vs tors. theta energy: -67.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -518.115535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.115535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.115535 (E_RNA)
where:
Base-Base interactions energy: -299.509
where: short stacking energy: -157.586
Base-Backbone interact. energy: -2.009
local terms energy: -216.596899
where:
bonds (distance) C4'-P energy: -49.834
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -31.468
tors. eta vs tors. theta energy: -35.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -492.816535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.816535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.816535 (E_RNA)
where:
Base-Base interactions energy: -292.160
where: short stacking energy: -120.746
Base-Backbone interact. energy: -0.284
local terms energy: -200.372024
where:
bonds (distance) C4'-P energy: -53.017
bonds (distance) P-C4' energy: -52.415
flat angles C4'-P-C4' energy: -49.674
flat angles P-C4'-P energy: -32.733
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -483.695292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.695292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.695292 (E_RNA)
where:
Base-Base interactions energy: -277.266
where: short stacking energy: -155.936
Base-Backbone interact. energy: -0.428
local terms energy: -206.000678
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -50.198
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -29.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -357.061651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.061651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.061651 (E_RNA)
where:
Base-Base interactions energy: -192.175
where: short stacking energy: -101.917
Base-Backbone interact. energy: -0.656
local terms energy: -164.230750
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -45.811
flat angles C4'-P-C4' energy: -43.041
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1018.447900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.447900 (E_RNA)
where:
Base-Base interactions energy: -689.741
where: short stacking energy: -304.013
Base-Backbone interact. energy: -0.364
local terms energy: -328.343326
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -54.392
flat angles C4'-P-C4' energy: -69.276
flat angles P-C4'-P energy: -49.060
tors. eta vs tors. theta energy: -95.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -974.318783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.318783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.318783 (E_RNA)
where:
Base-Base interactions energy: -664.091
where: short stacking energy: -277.917
Base-Backbone interact. energy: -2.038
local terms energy: -308.189635
where:
bonds (distance) C4'-P energy: -56.770
bonds (distance) P-C4' energy: -54.516
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -88.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -970.053621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.053621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.053621 (E_RNA)
where:
Base-Base interactions energy: -675.428
where: short stacking energy: -291.071
Base-Backbone interact. energy: 1.869
local terms energy: -296.494582
where:
bonds (distance) C4'-P energy: -60.006
bonds (distance) P-C4' energy: -49.232
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: -88.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -929.263912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.263912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.263912 (E_RNA)
where:
Base-Base interactions energy: -645.502
where: short stacking energy: -293.128
Base-Backbone interact. energy: -4.330
local terms energy: -279.431796
where:
bonds (distance) C4'-P energy: -40.272
bonds (distance) P-C4' energy: -49.931
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -87.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -816.529642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.529642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.529642 (E_RNA)
where:
Base-Base interactions energy: -554.181
where: short stacking energy: -227.621
Base-Backbone interact. energy: -2.399
local terms energy: -259.949766
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -49.810
flat angles C4'-P-C4' energy: -65.783
flat angles P-C4'-P energy: -24.863
tors. eta vs tors. theta energy: -64.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -828.285370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.285370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.285370 (E_RNA)
where:
Base-Base interactions energy: -545.334
where: short stacking energy: -260.400
Base-Backbone interact. energy: -0.535
local terms energy: -282.416118
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -54.847
flat angles C4'-P-C4' energy: -56.439
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: -78.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -515.755046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.755046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.755046 (E_RNA)
where:
Base-Base interactions energy: -291.916
where: short stacking energy: -147.877
Base-Backbone interact. energy: 0.425
local terms energy: -224.263415
where:
bonds (distance) C4'-P energy: -53.080
bonds (distance) P-C4' energy: -59.158
flat angles C4'-P-C4' energy: -52.395
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -30.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -496.542178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.542178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.542178 (E_RNA)
where:
Base-Base interactions energy: -274.831
where: short stacking energy: -139.052
Base-Backbone interact. energy: 2.005
local terms energy: -223.716686
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -53.396
flat angles C4'-P-C4' energy: -42.645
flat angles P-C4'-P energy: -34.461
tors. eta vs tors. theta energy: -36.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -456.469345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.469345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.469345 (E_RNA)
where:
Base-Base interactions energy: -260.132
where: short stacking energy: -127.622
Base-Backbone interact. energy: -1.648
local terms energy: -194.689152
where:
bonds (distance) C4'-P energy: -51.634
bonds (distance) P-C4' energy: -43.852
flat angles C4'-P-C4' energy: -41.676
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -374.918478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.918478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.918478 (E_RNA)
where:
Base-Base interactions energy: -195.087
where: short stacking energy: -99.137
Base-Backbone interact. energy: -3.350
local terms energy: -176.481260
where:
bonds (distance) C4'-P energy: -43.213
bonds (distance) P-C4' energy: -49.263
flat angles C4'-P-C4' energy: -44.810
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -998.243718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.243718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.243718 (E_RNA)
where:
Base-Base interactions energy: -693.521
where: short stacking energy: -299.469
Base-Backbone interact. energy: 0.007
local terms energy: -304.729888
where:
bonds (distance) C4'-P energy: -57.391
bonds (distance) P-C4' energy: -45.566
flat angles C4'-P-C4' energy: -65.874
flat angles P-C4'-P energy: -51.817
tors. eta vs tors. theta energy: -84.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -970.257911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.257911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.257911 (E_RNA)
where:
Base-Base interactions energy: -666.691
where: short stacking energy: -306.342
Base-Backbone interact. energy: 0.055
local terms energy: -303.622450
where:
bonds (distance) C4'-P energy: -50.527
bonds (distance) P-C4' energy: -54.697
flat angles C4'-P-C4' energy: -63.939
flat angles P-C4'-P energy: -42.661
tors. eta vs tors. theta energy: -91.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -960.553791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.553791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.553791 (E_RNA)
where:
Base-Base interactions energy: -669.506
where: short stacking energy: -298.458
Base-Backbone interact. energy: -1.635
local terms energy: -289.412258
where:
bonds (distance) C4'-P energy: -51.406
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -87.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -947.544209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.544209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.544209 (E_RNA)
where:
Base-Base interactions energy: -640.794
where: short stacking energy: -280.042
Base-Backbone interact. energy: -0.491
local terms energy: -306.258827
where:
bonds (distance) C4'-P energy: -48.909
bonds (distance) P-C4' energy: -63.482
flat angles C4'-P-C4' energy: -63.060
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -88.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -824.067387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.067387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.067387 (E_RNA)
where:
Base-Base interactions energy: -545.745
where: short stacking energy: -239.039
Base-Backbone interact. energy: -0.741
local terms energy: -277.580908
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -46.978
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: -79.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -806.963114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.963114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.963114 (E_RNA)
where:
Base-Base interactions energy: -550.783
where: short stacking energy: -224.902
Base-Backbone interact. energy: -1.574
local terms energy: -254.606782
where:
bonds (distance) C4'-P energy: -55.014
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -48.621
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -73.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -528.639171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.639171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.639171 (E_RNA)
where:
Base-Base interactions energy: -315.372
where: short stacking energy: -159.192
Base-Backbone interact. energy: -1.089
local terms energy: -212.178519
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -51.878
flat angles C4'-P-C4' energy: -38.035
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -39.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -485.775355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.775355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.775355 (E_RNA)
where:
Base-Base interactions energy: -287.720
where: short stacking energy: -147.251
Base-Backbone interact. energy: 4.066
local terms energy: -202.122199
where:
bonds (distance) C4'-P energy: -38.968
bonds (distance) P-C4' energy: -43.385
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: -38.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -419.472151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.472151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.472151 (E_RNA)
where:
Base-Base interactions energy: -219.599
where: short stacking energy: -123.601
Base-Backbone interact. energy: -0.481
local terms energy: -199.392494
where:
bonds (distance) C4'-P energy: -48.781
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -398.808228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.808228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.808228 (E_RNA)
where:
Base-Base interactions energy: -235.465
where: short stacking energy: -115.459
Base-Backbone interact. energy: 5.038
local terms energy: -168.381303
where:
bonds (distance) C4'-P energy: -44.516
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -37.871
flat angles P-C4'-P energy: -31.635
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1008.413235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.413235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.413235 (E_RNA)
where:
Base-Base interactions energy: -696.142
where: short stacking energy: -300.629
Base-Backbone interact. energy: -1.508
local terms energy: -310.763109
where:
bonds (distance) C4'-P energy: -57.525
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -57.402
flat angles P-C4'-P energy: -45.877
tors. eta vs tors. theta energy: -90.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -975.630594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.630594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.630594 (E_RNA)
where:
Base-Base interactions energy: -674.671
where: short stacking energy: -302.392
Base-Backbone interact. energy: -0.071
local terms energy: -300.889027
where:
bonds (distance) C4'-P energy: -57.699
bonds (distance) P-C4' energy: -39.101
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -94.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -937.552132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.552132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.552132 (E_RNA)
where:
Base-Base interactions energy: -639.234
where: short stacking energy: -278.650
Base-Backbone interact. energy: -1.726
local terms energy: -296.592720
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -63.289
flat angles C4'-P-C4' energy: -60.396
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -78.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -957.895617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.895617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.895617 (E_RNA)
where:
Base-Base interactions energy: -658.108
where: short stacking energy: -298.143
Base-Backbone interact. energy: -0.478
local terms energy: -299.310313
where:
bonds (distance) C4'-P energy: -46.047
bonds (distance) P-C4' energy: -53.172
flat angles C4'-P-C4' energy: -59.489
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -91.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -852.635179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.635179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.635179 (E_RNA)
where:
Base-Base interactions energy: -574.933
where: short stacking energy: -242.516
Base-Backbone interact. energy: -1.855
local terms energy: -275.847262
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -61.203
flat angles C4'-P-C4' energy: -52.012
flat angles P-C4'-P energy: -41.393
tors. eta vs tors. theta energy: -73.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -790.423623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.423623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.423623 (E_RNA)
where:
Base-Base interactions energy: -530.595
where: short stacking energy: -228.655
Base-Backbone interact. energy: -0.900
local terms energy: -258.928736
where:
bonds (distance) C4'-P energy: -51.678
bonds (distance) P-C4' energy: -54.153
flat angles C4'-P-C4' energy: -52.916
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -68.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -530.184552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.184552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.184552 (E_RNA)
where:
Base-Base interactions energy: -315.097
where: short stacking energy: -158.167
Base-Backbone interact. energy: -0.359
local terms energy: -214.729049
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -55.150
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -39.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -474.089366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.089366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.089366 (E_RNA)
where:
Base-Base interactions energy: -282.879
where: short stacking energy: -139.778
Base-Backbone interact. energy: 0.896
local terms energy: -192.106236
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -55.200
flat angles C4'-P-C4' energy: -42.778
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -403.042460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.042460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.042460 (E_RNA)
where:
Base-Base interactions energy: -208.200
where: short stacking energy: -118.105
Base-Backbone interact. energy: -0.871
local terms energy: -193.970580
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -47.171
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -419.929993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.929993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.929993 (E_RNA)
where:
Base-Base interactions energy: -248.358
where: short stacking energy: -130.532
Base-Backbone interact. energy: -0.440
local terms energy: -171.131990
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1013.297124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.297124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.297124 (E_RNA)
where:
Base-Base interactions energy: -689.702
where: short stacking energy: -294.904
Base-Backbone interact. energy: -0.805
local terms energy: -322.790062
where:
bonds (distance) C4'-P energy: -57.945
bonds (distance) P-C4' energy: -63.029
flat angles C4'-P-C4' energy: -65.784
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -88.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -967.849575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.849575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.849575 (E_RNA)
where:
Base-Base interactions energy: -662.892
where: short stacking energy: -291.157
Base-Backbone interact. energy: -0.682
local terms energy: -304.275506
where:
bonds (distance) C4'-P energy: -57.833
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -65.356
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -90.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -966.030687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.030687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.030687 (E_RNA)
where:
Base-Base interactions energy: -651.849
where: short stacking energy: -276.691
Base-Backbone interact. energy: -1.924
local terms energy: -312.257271
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -56.713
flat angles C4'-P-C4' energy: -61.552
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -86.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -929.740206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.740206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.740206 (E_RNA)
where:
Base-Base interactions energy: -630.736
where: short stacking energy: -279.740
Base-Backbone interact. energy: -1.000
local terms energy: -298.003734
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -62.229
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -89.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -835.493227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.493227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.493227 (E_RNA)
where:
Base-Base interactions energy: -544.641
where: short stacking energy: -258.337
Base-Backbone interact. energy: -0.657
local terms energy: -290.195001
where:
bonds (distance) C4'-P energy: -44.092
bonds (distance) P-C4' energy: -59.363
flat angles C4'-P-C4' energy: -61.312
flat angles P-C4'-P energy: -41.802
tors. eta vs tors. theta energy: -83.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -785.281087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.281087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.281087 (E_RNA)
where:
Base-Base interactions energy: -536.349
where: short stacking energy: -235.958
Base-Backbone interact. energy: -2.359
local terms energy: -246.572932
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -55.881
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -30.103
tors. eta vs tors. theta energy: -68.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -533.836813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.836813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.836813 (E_RNA)
where:
Base-Base interactions energy: -312.027
where: short stacking energy: -152.184
Base-Backbone interact. energy: -1.199
local terms energy: -220.611015
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -57.072
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -36.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -465.928658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.928658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.928658 (E_RNA)
where:
Base-Base interactions energy: -276.317
where: short stacking energy: -156.060
Base-Backbone interact. energy: 0.982
local terms energy: -190.594443
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -50.369
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -426.099075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.099075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.099075 (E_RNA)
where:
Base-Base interactions energy: -249.981
where: short stacking energy: -135.206
Base-Backbone interact. energy: -0.493
local terms energy: -175.624533
where:
bonds (distance) C4'-P energy: -40.055
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -357.287049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.287049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.287049 (E_RNA)
where:
Base-Base interactions energy: -188.143
where: short stacking energy: -100.401
Base-Backbone interact. energy: -1.229
local terms energy: -167.915583
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -43.617
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1011.848194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.848194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.848194 (E_RNA)
where:
Base-Base interactions energy: -681.032
where: short stacking energy: -306.546
Base-Backbone interact. energy: -0.113
local terms energy: -330.703556
where:
bonds (distance) C4'-P energy: -63.958
bonds (distance) P-C4' energy: -55.011
flat angles C4'-P-C4' energy: -69.700
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -93.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -994.806634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.806634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.806634 (E_RNA)
where:
Base-Base interactions energy: -684.887
where: short stacking energy: -299.135
Base-Backbone interact. energy: -1.425
local terms energy: -308.495062
where:
bonds (distance) C4'-P energy: -56.740
bonds (distance) P-C4' energy: -55.434
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -46.593
tors. eta vs tors. theta energy: -86.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -951.916177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.916177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.916177 (E_RNA)
where:
Base-Base interactions energy: -640.475
where: short stacking energy: -287.352
Base-Backbone interact. energy: -0.827
local terms energy: -310.614121
where:
bonds (distance) C4'-P energy: -59.033
bonds (distance) P-C4' energy: -45.765
flat angles C4'-P-C4' energy: -69.784
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -94.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -923.024303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.024303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.024303 (E_RNA)
where:
Base-Base interactions energy: -624.415
where: short stacking energy: -273.919
Base-Backbone interact. energy: 2.249
local terms energy: -300.858154
where:
bonds (distance) C4'-P energy: -50.135
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -67.390
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -86.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -838.783187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.783187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.783187 (E_RNA)
where:
Base-Base interactions energy: -567.582
where: short stacking energy: -255.474
Base-Backbone interact. energy: -0.757
local terms energy: -270.444470
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -45.404
flat angles C4'-P-C4' energy: -58.322
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: -83.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -807.077192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.077192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.077192 (E_RNA)
where:
Base-Base interactions energy: -556.229
where: short stacking energy: -252.738
Base-Backbone interact. energy: 1.819
local terms energy: -252.668102
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -57.857
flat angles P-C4'-P energy: -39.551
tors. eta vs tors. theta energy: -72.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -548.458874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.458874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.458874 (E_RNA)
where:
Base-Base interactions energy: -337.596
where: short stacking energy: -171.354
Base-Backbone interact. energy: -1.499
local terms energy: -209.364408
where:
bonds (distance) C4'-P energy: -49.310
bonds (distance) P-C4' energy: -43.476
flat angles C4'-P-C4' energy: -47.526
flat angles P-C4'-P energy: -36.236
tors. eta vs tors. theta energy: -32.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -453.978890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.978890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.978890 (E_RNA)
where:
Base-Base interactions energy: -256.137
where: short stacking energy: -140.432
Base-Backbone interact. energy: -0.483
local terms energy: -197.358350
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -53.371
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -496.663758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.663758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.663758 (E_RNA)
where:
Base-Base interactions energy: -311.176
where: short stacking energy: -148.463
Base-Backbone interact. energy: 1.339
local terms energy: -186.826141
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -46.261
flat angles C4'-P-C4' energy: -43.179
flat angles P-C4'-P energy: -30.553
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -343.367472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.367472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.367472 (E_RNA)
where:
Base-Base interactions energy: -172.161
where: short stacking energy: -107.394
Base-Backbone interact. energy: -1.465
local terms energy: -169.742059
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -994.684535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.684535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.684535 (E_RNA)
where:
Base-Base interactions energy: -680.736
where: short stacking energy: -302.863
Base-Backbone interact. energy: -1.792
local terms energy: -312.157254
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -59.447
flat angles C4'-P-C4' energy: -65.793
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -90.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -992.122074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.122074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.122074 (E_RNA)
where:
Base-Base interactions energy: -671.565
where: short stacking energy: -284.464
Base-Backbone interact. energy: -0.629
local terms energy: -319.928762
where:
bonds (distance) C4'-P energy: -59.957
bonds (distance) P-C4' energy: -59.565
flat angles C4'-P-C4' energy: -66.677
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -87.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -938.799698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.799698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.799698 (E_RNA)
where:
Base-Base interactions energy: -641.249
where: short stacking energy: -296.602
Base-Backbone interact. energy: 0.833
local terms energy: -298.383716
where:
bonds (distance) C4'-P energy: -47.356
bonds (distance) P-C4' energy: -58.824
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -88.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -927.216247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.216247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.216247 (E_RNA)
where:
Base-Base interactions energy: -635.129
where: short stacking energy: -272.006
Base-Backbone interact. energy: -0.752
local terms energy: -291.335027
where:
bonds (distance) C4'-P energy: -45.708
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -90.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -858.917492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.917492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.917492 (E_RNA)
where:
Base-Base interactions energy: -587.793
where: short stacking energy: -265.520
Base-Backbone interact. energy: 0.462
local terms energy: -271.586159
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -49.079
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -82.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -814.117551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.117551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.117551 (E_RNA)
where:
Base-Base interactions energy: -551.061
where: short stacking energy: -244.256
Base-Backbone interact. energy: 0.211
local terms energy: -263.266856
where:
bonds (distance) C4'-P energy: -49.601
bonds (distance) P-C4' energy: -54.855
flat angles C4'-P-C4' energy: -54.345
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -76.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -518.308280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.308280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.308280 (E_RNA)
where:
Base-Base interactions energy: -323.097
where: short stacking energy: -153.523
Base-Backbone interact. energy: 0.417
local terms energy: -195.628188
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -47.187
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -462.653561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.653561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.653561 (E_RNA)
where:
Base-Base interactions energy: -280.565
where: short stacking energy: -116.112
Base-Backbone interact. energy: -1.365
local terms energy: -180.723991
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -45.468
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -447.888220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.888220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.888220 (E_RNA)
where:
Base-Base interactions energy: -264.141
where: short stacking energy: -126.943
Base-Backbone interact. energy: -1.591
local terms energy: -182.156249
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -321.865930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.865930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.865930 (E_RNA)
where:
Base-Base interactions energy: -168.478
where: short stacking energy: -71.161
Base-Backbone interact. energy: -1.393
local terms energy: -151.994985
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -60.083
flat angles C4'-P-C4' energy: -43.956
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: 13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -997.659208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.659208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.659208 (E_RNA)
where:
Base-Base interactions energy: -678.764
where: short stacking energy: -294.498
Base-Backbone interact. energy: -1.211
local terms energy: -317.683709
where:
bonds (distance) C4'-P energy: -57.045
bonds (distance) P-C4' energy: -59.089
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -95.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -971.990270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.990270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.990270 (E_RNA)
where:
Base-Base interactions energy: -662.811
where: short stacking energy: -283.696
Base-Backbone interact. energy: -2.986
local terms energy: -306.193875
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -56.061
flat angles C4'-P-C4' energy: -59.188
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -88.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -959.773419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.773419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.773419 (E_RNA)
where:
Base-Base interactions energy: -646.987
where: short stacking energy: -282.362
Base-Backbone interact. energy: -1.012
local terms energy: -311.774355
where:
bonds (distance) C4'-P energy: -50.251
bonds (distance) P-C4' energy: -60.567
flat angles C4'-P-C4' energy: -63.408
flat angles P-C4'-P energy: -44.336
tors. eta vs tors. theta energy: -93.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -880.791351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.791351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.791351 (E_RNA)
where:
Base-Base interactions energy: -612.438
where: short stacking energy: -283.647
Base-Backbone interact. energy: -1.152
local terms energy: -267.201155
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -44.923
flat angles C4'-P-C4' energy: -59.706
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -83.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -823.889011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.889011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.889011 (E_RNA)
where:
Base-Base interactions energy: -544.030
where: short stacking energy: -248.676
Base-Backbone interact. energy: -1.458
local terms energy: -278.401687
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -56.424
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -81.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -799.011354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.011354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.011354 (E_RNA)
where:
Base-Base interactions energy: -536.430
where: short stacking energy: -226.603
Base-Backbone interact. energy: -0.998
local terms energy: -261.583974
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -49.297
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -67.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -570.096992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.096992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.096992 (E_RNA)
where:
Base-Base interactions energy: -349.476
where: short stacking energy: -167.892
Base-Backbone interact. energy: -1.445
local terms energy: -219.175767
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -42.307
flat angles C4'-P-C4' energy: -59.404
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -28.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -487.232834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.232834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.232834 (E_RNA)
where:
Base-Base interactions energy: -303.050
where: short stacking energy: -143.479
Base-Backbone interact. energy: 8.832
local terms energy: -193.014779
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -31.109
tors. eta vs tors. theta energy: -23.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -460.044002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.044002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.044002 (E_RNA)
where:
Base-Base interactions energy: -291.235
where: short stacking energy: -147.812
Base-Backbone interact. energy: -0.616
local terms energy: -168.193145
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -44.635
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -286.775229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.775229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.775229 (E_RNA)
where:
Base-Base interactions energy: -143.912
where: short stacking energy: -98.343
Base-Backbone interact. energy: 1.543
local terms energy: -144.406194
where:
bonds (distance) C4'-P energy: -45.220
bonds (distance) P-C4' energy: -42.843
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -18.318
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -972.105855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.105855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.105855 (E_RNA)
where:
Base-Base interactions energy: -659.034
where: short stacking energy: -288.536
Base-Backbone interact. energy: -1.499
local terms energy: -311.573309
where:
bonds (distance) C4'-P energy: -57.564
bonds (distance) P-C4' energy: -61.896
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: -84.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -979.680946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.680946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.680946 (E_RNA)
where:
Base-Base interactions energy: -673.826
where: short stacking energy: -290.160
Base-Backbone interact. energy: -1.382
local terms energy: -304.472518
where:
bonds (distance) C4'-P energy: -52.015
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -65.296
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -86.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -951.433731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.433731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.433731 (E_RNA)
where:
Base-Base interactions energy: -653.598
where: short stacking energy: -284.270
Base-Backbone interact. energy: -0.171
local terms energy: -297.664288
where:
bonds (distance) C4'-P energy: -58.594
bonds (distance) P-C4' energy: -46.998
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -44.504
tors. eta vs tors. theta energy: -87.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -892.135706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.135706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.135706 (E_RNA)
where:
Base-Base interactions energy: -604.297
where: short stacking energy: -279.045
Base-Backbone interact. energy: -1.632
local terms energy: -286.207068
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -61.731
flat angles P-C4'-P energy: -35.357
tors. eta vs tors. theta energy: -80.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -832.257821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.257821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.257821 (E_RNA)
where:
Base-Base interactions energy: -566.995
where: short stacking energy: -245.837
Base-Backbone interact. energy: 2.725
local terms energy: -267.988049
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: -66.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -841.130442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.130442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.130442 (E_RNA)
where:
Base-Base interactions energy: -575.249
where: short stacking energy: -271.929
Base-Backbone interact. energy: -0.043
local terms energy: -265.838026
where:
bonds (distance) C4'-P energy: -43.109
bonds (distance) P-C4' energy: -46.379
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -85.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -558.509143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.509143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.509143 (E_RNA)
where:
Base-Base interactions energy: -326.137
where: short stacking energy: -171.349
Base-Backbone interact. energy: -1.626
local terms energy: -230.746448
where:
bonds (distance) C4'-P energy: -49.896
bonds (distance) P-C4' energy: -64.541
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -468.956656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.956656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.956656 (E_RNA)
where:
Base-Base interactions energy: -277.102
where: short stacking energy: -137.856
Base-Backbone interact. energy: 2.982
local terms energy: -194.836957
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -43.678
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -28.658
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -474.849668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.849668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.849668 (E_RNA)
where:
Base-Base interactions energy: -295.678
where: short stacking energy: -145.965
Base-Backbone interact. energy: 2.395
local terms energy: -181.566137
where:
bonds (distance) C4'-P energy: -35.208
bonds (distance) P-C4' energy: -47.551
flat angles C4'-P-C4' energy: -38.520
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -33.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -284.402133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.402133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.402133 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -81.713
Base-Backbone interact. energy: 5.205
local terms energy: -155.345783
where:
bonds (distance) C4'-P energy: -48.955
bonds (distance) P-C4' energy: -41.522
flat angles C4'-P-C4' energy: -31.753
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -976.558549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.558549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.558549 (E_RNA)
where:
Base-Base interactions energy: -656.585
where: short stacking energy: -284.949
Base-Backbone interact. energy: -1.514
local terms energy: -318.460037
where:
bonds (distance) C4'-P energy: -60.575
bonds (distance) P-C4' energy: -57.999
flat angles C4'-P-C4' energy: -67.503
flat angles P-C4'-P energy: -48.372
tors. eta vs tors. theta energy: -84.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -954.488409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.488409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.488409 (E_RNA)
where:
Base-Base interactions energy: -659.293
where: short stacking energy: -300.104
Base-Backbone interact. energy: -0.263
local terms energy: -294.932681
where:
bonds (distance) C4'-P energy: -51.433
bonds (distance) P-C4' energy: -56.656
flat angles C4'-P-C4' energy: -66.898
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -89.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -961.399906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.399906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.399906 (E_RNA)
where:
Base-Base interactions energy: -649.933
where: short stacking energy: -294.846
Base-Backbone interact. energy: -1.152
local terms energy: -310.314472
where:
bonds (distance) C4'-P energy: -56.007
bonds (distance) P-C4' energy: -59.288
flat angles C4'-P-C4' energy: -64.669
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -87.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -905.017969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.017969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.017969 (E_RNA)
where:
Base-Base interactions energy: -621.611
where: short stacking energy: -285.963
Base-Backbone interact. energy: 1.174
local terms energy: -284.581483
where:
bonds (distance) C4'-P energy: -48.375
bonds (distance) P-C4' energy: -53.204
flat angles C4'-P-C4' energy: -59.783
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -80.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -845.137834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.137834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.137834 (E_RNA)
where:
Base-Base interactions energy: -567.872
where: short stacking energy: -247.214
Base-Backbone interact. energy: -1.739
local terms energy: -275.526545
where:
bonds (distance) C4'-P energy: -48.690
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -42.464
tors. eta vs tors. theta energy: -72.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -834.638071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.638071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.638071 (E_RNA)
where:
Base-Base interactions energy: -559.112
where: short stacking energy: -258.909
Base-Backbone interact. energy: -0.989
local terms energy: -274.537087
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -81.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -513.929789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.929789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.929789 (E_RNA)
where:
Base-Base interactions energy: -286.392
where: short stacking energy: -150.966
Base-Backbone interact. energy: -1.744
local terms energy: -225.793120
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -34.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -483.219986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.219986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.219986 (E_RNA)
where:
Base-Base interactions energy: -279.831
where: short stacking energy: -134.747
Base-Backbone interact. energy: 0.927
local terms energy: -204.316090
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -40.545
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -467.273150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.273150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.273150 (E_RNA)
where:
Base-Base interactions energy: -281.674
where: short stacking energy: -133.930
Base-Backbone interact. energy: 1.359
local terms energy: -186.958305
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -51.067
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -332.512099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.512099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.512099 (E_RNA)
where:
Base-Base interactions energy: -168.799
where: short stacking energy: -93.885
Base-Backbone interact. energy: -1.424
local terms energy: -162.289636
where:
bonds (distance) C4'-P energy: -44.278
bonds (distance) P-C4' energy: -48.986
flat angles C4'-P-C4' energy: -49.155
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -985.008048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.008048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.008048 (E_RNA)
where:
Base-Base interactions energy: -668.793
where: short stacking energy: -307.826
Base-Backbone interact. energy: -0.199
local terms energy: -316.015867
where:
bonds (distance) C4'-P energy: -53.056
bonds (distance) P-C4' energy: -59.252
flat angles C4'-P-C4' energy: -65.087
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -92.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -965.190000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.190000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.190000 (E_RNA)
where:
Base-Base interactions energy: -658.386
where: short stacking energy: -297.769
Base-Backbone interact. energy: 3.015
local terms energy: -309.818210
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -55.143
flat angles C4'-P-C4' energy: -64.249
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -89.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -911.702252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.702252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.702252 (E_RNA)
where:
Base-Base interactions energy: -617.925
where: short stacking energy: -291.036
Base-Backbone interact. energy: -1.329
local terms energy: -292.448454
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -56.061
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -79.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -947.327148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.327148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.327148 (E_RNA)
where:
Base-Base interactions energy: -648.195
where: short stacking energy: -287.229
Base-Backbone interact. energy: -0.988
local terms energy: -298.143541
where:
bonds (distance) C4'-P energy: -59.331
bonds (distance) P-C4' energy: -56.190
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -88.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -876.850791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.850791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.850791 (E_RNA)
where:
Base-Base interactions energy: -588.614
where: short stacking energy: -264.528
Base-Backbone interact. energy: -0.027
local terms energy: -288.209999
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -58.304
flat angles P-C4'-P energy: -41.887
tors. eta vs tors. theta energy: -84.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -830.421486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.421486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.421486 (E_RNA)
where:
Base-Base interactions energy: -559.882
where: short stacking energy: -246.473
Base-Backbone interact. energy: -0.946
local terms energy: -269.592869
where:
bonds (distance) C4'-P energy: -51.582
bonds (distance) P-C4' energy: -53.715
flat angles C4'-P-C4' energy: -58.289
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: -68.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -515.310310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.310310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.310310 (E_RNA)
where:
Base-Base interactions energy: -301.072
where: short stacking energy: -159.629
Base-Backbone interact. energy: -0.452
local terms energy: -213.786377
where:
bonds (distance) C4'-P energy: -42.461
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -54.001
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -38.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -492.462077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.462077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.462077 (E_RNA)
where:
Base-Base interactions energy: -300.420
where: short stacking energy: -153.767
Base-Backbone interact. energy: -1.733
local terms energy: -190.308710
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -43.156
flat angles C4'-P-C4' energy: -48.471
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -436.067799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.067799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.067799 (E_RNA)
where:
Base-Base interactions energy: -267.603
where: short stacking energy: -133.946
Base-Backbone interact. energy: -2.963
local terms energy: -165.502346
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -320.617119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.617119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.617119 (E_RNA)
where:
Base-Base interactions energy: -179.211
where: short stacking energy: -95.411
Base-Backbone interact. energy: -1.154
local terms energy: -140.251916
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -40.653
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: 3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -992.584709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.584709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.584709 (E_RNA)
where:
Base-Base interactions energy: -685.997
where: short stacking energy: -310.130
Base-Backbone interact. energy: -0.649
local terms energy: -305.938661
where:
bonds (distance) C4'-P energy: -54.465
bonds (distance) P-C4' energy: -56.313
flat angles C4'-P-C4' energy: -64.975
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -89.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -931.182436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.182436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.182436 (E_RNA)
where:
Base-Base interactions energy: -626.449
where: short stacking energy: -288.262
Base-Backbone interact. energy: -1.364
local terms energy: -303.369838
where:
bonds (distance) C4'-P energy: -53.958
bonds (distance) P-C4' energy: -57.094
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -87.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -914.985911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.985911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.985911 (E_RNA)
where:
Base-Base interactions energy: -618.760
where: short stacking energy: -285.485
Base-Backbone interact. energy: -0.965
local terms energy: -295.261247
where:
bonds (distance) C4'-P energy: -55.024
bonds (distance) P-C4' energy: -46.455
flat angles C4'-P-C4' energy: -65.205
flat angles P-C4'-P energy: -42.028
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -928.860467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.860467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.860467 (E_RNA)
where:
Base-Base interactions energy: -635.229
where: short stacking energy: -286.407
Base-Backbone interact. energy: -0.653
local terms energy: -292.978467
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -48.913
flat angles C4'-P-C4' energy: -51.266
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -85.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -848.105744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.105744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.105744 (E_RNA)
where:
Base-Base interactions energy: -555.472
where: short stacking energy: -250.861
Base-Backbone interact. energy: -1.123
local terms energy: -291.510553
where:
bonds (distance) C4'-P energy: -57.907
bonds (distance) P-C4' energy: -62.512
flat angles C4'-P-C4' energy: -59.490
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -69.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -837.742241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.742241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.742241 (E_RNA)
where:
Base-Base interactions energy: -578.358
where: short stacking energy: -257.842
Base-Backbone interact. energy: -0.582
local terms energy: -258.802426
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -40.746
flat angles C4'-P-C4' energy: -51.229
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -79.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -547.645238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.645238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.645238 (E_RNA)
where:
Base-Base interactions energy: -336.244
where: short stacking energy: -175.382
Base-Backbone interact. energy: -1.173
local terms energy: -210.228088
where:
bonds (distance) C4'-P energy: -40.524
bonds (distance) P-C4' energy: -51.856
flat angles C4'-P-C4' energy: -50.234
flat angles P-C4'-P energy: -31.786
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -537.802891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.802891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.802891 (E_RNA)
where:
Base-Base interactions energy: -319.637
where: short stacking energy: -150.404
Base-Backbone interact. energy: -0.688
local terms energy: -217.477290
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -56.385
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -29.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -447.849438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.849438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.849438 (E_RNA)
where:
Base-Base interactions energy: -271.079
where: short stacking energy: -123.399
Base-Backbone interact. energy: -1.106
local terms energy: -175.664960
where:
bonds (distance) C4'-P energy: -38.138
bonds (distance) P-C4' energy: -59.872
flat angles C4'-P-C4' energy: -39.142
flat angles P-C4'-P energy: -28.594
tors. eta vs tors. theta energy: -9.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -326.287051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.287051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.287051 (E_RNA)
where:
Base-Base interactions energy: -167.552
where: short stacking energy: -85.754
Base-Backbone interact. energy: 0.949
local terms energy: -159.683583
where:
bonds (distance) C4'-P energy: -42.509
bonds (distance) P-C4' energy: -50.911
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: 1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -973.307742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.307742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.307742 (E_RNA)
where:
Base-Base interactions energy: -669.858
where: short stacking energy: -294.156
Base-Backbone interact. energy: -0.716
local terms energy: -302.733966
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -91.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -959.639065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.639065 (E_RNA)
where:
Base-Base interactions energy: -662.974
where: short stacking energy: -290.988
Base-Backbone interact. energy: -2.966
local terms energy: -293.698525
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -48.870
flat angles C4'-P-C4' energy: -61.858
flat angles P-C4'-P energy: -45.703
tors. eta vs tors. theta energy: -84.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -964.196420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.196420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.196420 (E_RNA)
where:
Base-Base interactions energy: -652.975
where: short stacking energy: -298.382
Base-Backbone interact. energy: -1.448
local terms energy: -309.773416
where:
bonds (distance) C4'-P energy: -58.286
bonds (distance) P-C4' energy: -58.024
flat angles C4'-P-C4' energy: -63.945
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -91.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -911.583057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.583057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.583057 (E_RNA)
where:
Base-Base interactions energy: -603.892
where: short stacking energy: -278.730
Base-Backbone interact. energy: -1.715
local terms energy: -305.976946
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -63.411
flat angles P-C4'-P energy: -40.745
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -824.810286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.810286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.810286 (E_RNA)
where:
Base-Base interactions energy: -563.230
where: short stacking energy: -269.655
Base-Backbone interact. energy: -1.563
local terms energy: -260.017292
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -65.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -784.913826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.913826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.913826 (E_RNA)
where:
Base-Base interactions energy: -534.349
where: short stacking energy: -246.515
Base-Backbone interact. energy: 1.860
local terms energy: -252.424734
where:
bonds (distance) C4'-P energy: -61.656
bonds (distance) P-C4' energy: -43.440
flat angles C4'-P-C4' energy: -53.095
flat angles P-C4'-P energy: -29.822
tors. eta vs tors. theta energy: -64.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -499.608548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.608548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.608548 (E_RNA)
where:
Base-Base interactions energy: -279.983
where: short stacking energy: -152.370
Base-Backbone interact. energy: 0.196
local terms energy: -219.822063
where:
bonds (distance) C4'-P energy: -52.478
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -54.628
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -495.041425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.041425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.041425 (E_RNA)
where:
Base-Base interactions energy: -314.359
where: short stacking energy: -149.382
Base-Backbone interact. energy: -1.243
local terms energy: -179.439251
where:
bonds (distance) C4'-P energy: -40.254
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -41.498
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -532.251215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.251215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.251215 (E_RNA)
where:
Base-Base interactions energy: -327.498
where: short stacking energy: -152.246
Base-Backbone interact. energy: -0.170
local terms energy: -204.583028
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -47.825
flat angles C4'-P-C4' energy: -55.917
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -310.665489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.665489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.665489 (E_RNA)
where:
Base-Base interactions energy: -144.866
where: short stacking energy: -93.991
Base-Backbone interact. energy: -0.312
local terms energy: -165.487103
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -47.968
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -981.553984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.553984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.553984 (E_RNA)
where:
Base-Base interactions energy: -661.626
where: short stacking energy: -286.595
Base-Backbone interact. energy: -1.196
local terms energy: -318.732422
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -67.191
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -971.660130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.660130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.660130 (E_RNA)
where:
Base-Base interactions energy: -664.705
where: short stacking energy: -284.998
Base-Backbone interact. energy: -1.417
local terms energy: -305.537528
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -63.497
flat angles P-C4'-P energy: -40.349
tors. eta vs tors. theta energy: -90.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -939.899042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.899042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.899042 (E_RNA)
where:
Base-Base interactions energy: -638.560
where: short stacking energy: -292.606
Base-Backbone interact. energy: -0.751
local terms energy: -300.588136
where:
bonds (distance) C4'-P energy: -43.356
bonds (distance) P-C4' energy: -54.888
flat angles C4'-P-C4' energy: -63.665
flat angles P-C4'-P energy: -49.893
tors. eta vs tors. theta energy: -88.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -891.078814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.078814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.078814 (E_RNA)
where:
Base-Base interactions energy: -599.737
where: short stacking energy: -260.032
Base-Backbone interact. energy: 1.723
local terms energy: -293.064644
where:
bonds (distance) C4'-P energy: -57.753
bonds (distance) P-C4' energy: -60.689
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -35.016
tors. eta vs tors. theta energy: -78.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -844.917847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.917847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.917847 (E_RNA)
where:
Base-Base interactions energy: -561.578
where: short stacking energy: -261.334
Base-Backbone interact. energy: -1.678
local terms energy: -281.661962
where:
bonds (distance) C4'-P energy: -50.516
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -60.855
flat angles P-C4'-P energy: -36.824
tors. eta vs tors. theta energy: -74.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -827.491289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.491289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.491289 (E_RNA)
where:
Base-Base interactions energy: -562.193
where: short stacking energy: -249.752
Base-Backbone interact. energy: -0.966
local terms energy: -264.332462
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -62.296
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -71.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -532.739851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.739851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.739851 (E_RNA)
where:
Base-Base interactions energy: -334.803
where: short stacking energy: -167.851
Base-Backbone interact. energy: -0.992
local terms energy: -196.945084
where:
bonds (distance) C4'-P energy: -41.902
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -579.966904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.966904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.966904 (E_RNA)
where:
Base-Base interactions energy: -368.029
where: short stacking energy: -159.704
Base-Backbone interact. energy: -1.374
local terms energy: -210.563392
where:
bonds (distance) C4'-P energy: -44.822
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -48.740
flat angles P-C4'-P energy: -35.510
tors. eta vs tors. theta energy: -27.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -477.644487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.644487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.644487 (E_RNA)
where:
Base-Base interactions energy: -281.693
where: short stacking energy: -137.171
Base-Backbone interact. energy: 2.687
local terms energy: -198.638560
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -46.479
flat angles C4'-P-C4' energy: -57.410
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -309.673657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.673657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.673657 (E_RNA)
where:
Base-Base interactions energy: -162.499
where: short stacking energy: -91.272
Base-Backbone interact. energy: 3.065
local terms energy: -150.239620
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -42.305
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: 5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -991.749006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.749006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.749006 (E_RNA)
where:
Base-Base interactions energy: -675.691
where: short stacking energy: -308.666
Base-Backbone interact. energy: -0.630
local terms energy: -315.428186
where:
bonds (distance) C4'-P energy: -59.053
bonds (distance) P-C4' energy: -59.571
flat angles C4'-P-C4' energy: -67.364
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -95.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -954.027409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.027409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.027409 (E_RNA)
where:
Base-Base interactions energy: -645.156
where: short stacking energy: -286.580
Base-Backbone interact. energy: -1.000
local terms energy: -307.870912
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -56.915
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -42.898
tors. eta vs tors. theta energy: -87.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -915.960410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.960410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.960410 (E_RNA)
where:
Base-Base interactions energy: -620.345
where: short stacking energy: -265.160
Base-Backbone interact. energy: -0.700
local terms energy: -294.916165
where:
bonds (distance) C4'-P energy: -57.581
bonds (distance) P-C4' energy: -58.437
flat angles C4'-P-C4' energy: -59.741
flat angles P-C4'-P energy: -34.197
tors. eta vs tors. theta energy: -84.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -898.586673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.586673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.586673 (E_RNA)
where:
Base-Base interactions energy: -612.461
where: short stacking energy: -272.221
Base-Backbone interact. energy: -1.497
local terms energy: -284.628791
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -68.358
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -72.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -827.479892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.479892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.479892 (E_RNA)
where:
Base-Base interactions energy: -545.764
where: short stacking energy: -256.480
Base-Backbone interact. energy: -2.985
local terms energy: -278.731591
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -51.646
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -70.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -814.896418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.896418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.896418 (E_RNA)
where:
Base-Base interactions energy: -561.924
where: short stacking energy: -252.822
Base-Backbone interact. energy: -0.133
local terms energy: -252.839016
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -46.378
flat angles C4'-P-C4' energy: -60.443
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -76.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -659.062376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.062376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.062376 (E_RNA)
where:
Base-Base interactions energy: -458.888
where: short stacking energy: -201.302
Base-Backbone interact. energy: -2.246
local terms energy: -197.928486
where:
bonds (distance) C4'-P energy: -35.317
bonds (distance) P-C4' energy: -45.045
flat angles C4'-P-C4' energy: -54.648
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: -38.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -481.001880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.001880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.001880 (E_RNA)
where:
Base-Base interactions energy: -284.050
where: short stacking energy: -128.477
Base-Backbone interact. energy: 0.475
local terms energy: -197.427690
where:
bonds (distance) C4'-P energy: -39.994
bonds (distance) P-C4' energy: -56.424
flat angles C4'-P-C4' energy: -42.740
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -456.180546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.180546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.180546 (E_RNA)
where:
Base-Base interactions energy: -260.606
where: short stacking energy: -131.625
Base-Backbone interact. energy: -0.620
local terms energy: -194.955096
where:
bonds (distance) C4'-P energy: -49.335
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -34.599
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -314.002914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.002914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.002914 (E_RNA)
where:
Base-Base interactions energy: -162.141
where: short stacking energy: -83.019
Base-Backbone interact. energy: -1.042
local terms energy: -150.820227
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -39.658
flat angles P-C4'-P energy: -33.474
tors. eta vs tors. theta energy: 7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -984.525198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.525198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.525198 (E_RNA)
where:
Base-Base interactions energy: -671.589
where: short stacking energy: -300.772
Base-Backbone interact. energy: -1.071
local terms energy: -311.865347
where:
bonds (distance) C4'-P energy: -57.843
bonds (distance) P-C4' energy: -60.977
flat angles C4'-P-C4' energy: -66.194
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -86.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -947.107009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.107009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.107009 (E_RNA)
where:
Base-Base interactions energy: -647.413
where: short stacking energy: -292.350
Base-Backbone interact. energy: -1.927
local terms energy: -297.766662
where:
bonds (distance) C4'-P energy: -48.901
bonds (distance) P-C4' energy: -54.921
flat angles C4'-P-C4' energy: -67.519
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -85.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -941.830876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.830876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.830876 (E_RNA)
where:
Base-Base interactions energy: -640.615
where: short stacking energy: -285.993
Base-Backbone interact. energy: -0.312
local terms energy: -300.904578
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -62.209
flat angles C4'-P-C4' energy: -56.735
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: -86.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -898.730158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.730158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.730158 (E_RNA)
where:
Base-Base interactions energy: -612.665
where: short stacking energy: -276.283
Base-Backbone interact. energy: 0.976
local terms energy: -287.040899
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -56.861
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -83.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -843.727795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.727795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.727795 (E_RNA)
where:
Base-Base interactions energy: -556.848
where: short stacking energy: -251.521
Base-Backbone interact. energy: -3.052
local terms energy: -283.827015
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -43.263
tors. eta vs tors. theta energy: -74.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -809.597659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.597659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.597659 (E_RNA)
where:
Base-Base interactions energy: -556.319
where: short stacking energy: -246.087
Base-Backbone interact. energy: -0.364
local terms energy: -252.914621
where:
bonds (distance) C4'-P energy: -46.536
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -66.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -661.004258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.004258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.004258 (E_RNA)
where:
Base-Base interactions energy: -431.156
where: short stacking energy: -181.336
Base-Backbone interact. energy: -1.207
local terms energy: -228.641592
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -56.034
flat angles C4'-P-C4' energy: -44.418
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -42.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -533.472302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.472302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.472302 (E_RNA)
where:
Base-Base interactions energy: -334.280
where: short stacking energy: -149.733
Base-Backbone interact. energy: -0.549
local terms energy: -198.643197
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -30.682
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -445.379140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.379140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.379140 (E_RNA)
where:
Base-Base interactions energy: -267.391
where: short stacking energy: -114.189
Base-Backbone interact. energy: -2.040
local terms energy: -175.947582
where:
bonds (distance) C4'-P energy: -43.758
bonds (distance) P-C4' energy: -50.114
flat angles C4'-P-C4' energy: -55.381
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -320.127075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.127075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.127075 (E_RNA)
where:
Base-Base interactions energy: -161.407
where: short stacking energy: -98.089
Base-Backbone interact. energy: -2.186
local terms energy: -156.533889
where:
bonds (distance) C4'-P energy: -52.837
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -44.734
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: 8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -991.826983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.826983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.826983 (E_RNA)
where:
Base-Base interactions energy: -673.863
where: short stacking energy: -312.767
Base-Backbone interact. energy: -0.893
local terms energy: -317.071127
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -50.942
tors. eta vs tors. theta energy: -88.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -951.881238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.881238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.881238 (E_RNA)
where:
Base-Base interactions energy: -642.689
where: short stacking energy: -292.803
Base-Backbone interact. energy: -0.818
local terms energy: -308.374176
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -54.546
flat angles C4'-P-C4' energy: -65.876
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -83.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -935.715428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.715428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.715428 (E_RNA)
where:
Base-Base interactions energy: -637.602
where: short stacking energy: -273.348
Base-Backbone interact. energy: 0.564
local terms energy: -298.676788
where:
bonds (distance) C4'-P energy: -53.532
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -65.920
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -83.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -912.125758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.125758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.125758 (E_RNA)
where:
Base-Base interactions energy: -623.190
where: short stacking energy: -267.246
Base-Backbone interact. energy: 0.089
local terms energy: -289.024358
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -53.955
flat angles C4'-P-C4' energy: -59.764
flat angles P-C4'-P energy: -42.084
tors. eta vs tors. theta energy: -85.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -816.413093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.413093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.413093 (E_RNA)
where:
Base-Base interactions energy: -563.768
where: short stacking energy: -242.280
Base-Backbone interact. energy: 1.027
local terms energy: -253.672246
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -46.127
flat angles C4'-P-C4' energy: -57.515
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -63.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -796.941478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.941478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.941478 (E_RNA)
where:
Base-Base interactions energy: -538.086
where: short stacking energy: -226.829
Base-Backbone interact. energy: -1.603
local terms energy: -257.252177
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -50.782
flat angles C4'-P-C4' energy: -47.134
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -70.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -663.053479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.053479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.053479 (E_RNA)
where:
Base-Base interactions energy: -438.382
where: short stacking energy: -198.155
Base-Backbone interact. energy: -0.785
local terms energy: -223.886313
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -59.110
flat angles C4'-P-C4' energy: -52.222
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -35.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -554.019674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.019674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.019674 (E_RNA)
where:
Base-Base interactions energy: -364.539
where: short stacking energy: -150.951
Base-Backbone interact. energy: 0.103
local terms energy: -189.583032
where:
bonds (distance) C4'-P energy: -38.851
bonds (distance) P-C4' energy: -40.708
flat angles C4'-P-C4' energy: -57.012
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -30.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -397.434513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.434513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.434513 (E_RNA)
where:
Base-Base interactions energy: -204.424
where: short stacking energy: -114.253
Base-Backbone interact. energy: 2.773
local terms energy: -195.783521
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -50.154
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -308.691297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.691297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.691297 (E_RNA)
where:
Base-Base interactions energy: -168.703
where: short stacking energy: -93.495
Base-Backbone interact. energy: 1.032
local terms energy: -141.020480
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -40.982
flat angles P-C4'-P energy: -28.543
tors. eta vs tors. theta energy: 9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1021.779124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.779124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.779124 (E_RNA)
where:
Base-Base interactions energy: -681.343
where: short stacking energy: -303.738
Base-Backbone interact. energy: -1.715
local terms energy: -338.721054
where:
bonds (distance) C4'-P energy: -65.725
bonds (distance) P-C4' energy: -64.716
flat angles C4'-P-C4' energy: -62.917
flat angles P-C4'-P energy: -54.777
tors. eta vs tors. theta energy: -90.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -973.543512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.543512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.543512 (E_RNA)
where:
Base-Base interactions energy: -678.098
where: short stacking energy: -286.157
Base-Backbone interact. energy: -0.512
local terms energy: -294.932862
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -52.537
flat angles C4'-P-C4' energy: -60.565
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -82.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -917.865929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.865929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.865929 (E_RNA)
where:
Base-Base interactions energy: -635.715
where: short stacking energy: -262.827
Base-Backbone interact. energy: 0.185
local terms energy: -282.336368
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -50.142
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -77.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -941.796791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.796791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.796791 (E_RNA)
where:
Base-Base interactions energy: -653.846
where: short stacking energy: -272.051
Base-Backbone interact. energy: -1.306
local terms energy: -286.645525
where:
bonds (distance) C4'-P energy: -55.209
bonds (distance) P-C4' energy: -46.491
flat angles C4'-P-C4' energy: -59.504
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -84.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -842.184726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.184726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.184726 (E_RNA)
where:
Base-Base interactions energy: -560.958
where: short stacking energy: -261.959
Base-Backbone interact. energy: -1.662
local terms energy: -279.564858
where:
bonds (distance) C4'-P energy: -52.394
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -39.725
tors. eta vs tors. theta energy: -82.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -826.248818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.248818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.248818 (E_RNA)
where:
Base-Base interactions energy: -565.721
where: short stacking energy: -252.748
Base-Backbone interact. energy: 2.368
local terms energy: -262.896083
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -70.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -647.665446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.665446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.665446 (E_RNA)
where:
Base-Base interactions energy: -414.095
where: short stacking energy: -199.721
Base-Backbone interact. energy: 0.213
local terms energy: -233.783480
where:
bonds (distance) C4'-P energy: -55.936
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -58.106
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -45.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -545.088165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.088165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.088165 (E_RNA)
where:
Base-Base interactions energy: -334.707
where: short stacking energy: -154.205
Base-Backbone interact. energy: -1.071
local terms energy: -209.310339
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -58.407
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -29.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -367.602161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.602161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.602161 (E_RNA)
where:
Base-Base interactions energy: -200.551
where: short stacking energy: -106.813
Base-Backbone interact. energy: 1.585
local terms energy: -168.635790
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -32.835
flat angles C4'-P-C4' energy: -41.188
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -308.729637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.729637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.729637 (E_RNA)
where:
Base-Base interactions energy: -163.287
where: short stacking energy: -88.206
Base-Backbone interact. energy: -1.081
local terms energy: -144.361668
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -47.000
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: 2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -972.571748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.571748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.571748 (E_RNA)
where:
Base-Base interactions energy: -685.800
where: short stacking energy: -308.394
Base-Backbone interact. energy: 3.843
local terms energy: -290.615632
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -54.307
flat angles C4'-P-C4' energy: -63.281
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -84.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -966.464248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.464248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.464248 (E_RNA)
where:
Base-Base interactions energy: -653.858
where: short stacking energy: -289.342
Base-Backbone interact. energy: -1.379
local terms energy: -311.227063
where:
bonds (distance) C4'-P energy: -54.918
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -63.007
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -94.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -931.334515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.334515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.334515 (E_RNA)
where:
Base-Base interactions energy: -639.594
where: short stacking energy: -276.864
Base-Backbone interact. energy: -0.301
local terms energy: -291.439664
where:
bonds (distance) C4'-P energy: -56.827
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -58.290
flat angles P-C4'-P energy: -37.276
tors. eta vs tors. theta energy: -85.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -907.363726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.363726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.363726 (E_RNA)
where:
Base-Base interactions energy: -613.320
where: short stacking energy: -267.579
Base-Backbone interact. energy: 3.389
local terms energy: -297.432856
where:
bonds (distance) C4'-P energy: -56.386
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -49.078
tors. eta vs tors. theta energy: -78.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -841.312892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.312892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.312892 (E_RNA)
where:
Base-Base interactions energy: -552.409
where: short stacking energy: -237.215
Base-Backbone interact. energy: -0.510
local terms energy: -288.394071
where:
bonds (distance) C4'-P energy: -58.429
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -58.811
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -75.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -782.948768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.948768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.948768 (E_RNA)
where:
Base-Base interactions energy: -517.158
where: short stacking energy: -226.777
Base-Backbone interact. energy: -1.202
local terms energy: -264.588302
where:
bonds (distance) C4'-P energy: -48.865
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -31.750
tors. eta vs tors. theta energy: -65.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -657.991781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.991781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.991781 (E_RNA)
where:
Base-Base interactions energy: -422.964
where: short stacking energy: -206.775
Base-Backbone interact. energy: 2.419
local terms energy: -237.446909
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -44.853
flat angles P-C4'-P energy: -31.743
tors. eta vs tors. theta energy: -56.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -566.369135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.369135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.369135 (E_RNA)
where:
Base-Base interactions energy: -377.620
where: short stacking energy: -160.132
Base-Backbone interact. energy: 0.868
local terms energy: -189.617619
where:
bonds (distance) C4'-P energy: -31.896
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -43.634
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -31.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -403.515787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.515787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.515787 (E_RNA)
where:
Base-Base interactions energy: -218.211
where: short stacking energy: -128.105
Base-Backbone interact. energy: 2.018
local terms energy: -187.322480
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -46.507
flat angles C4'-P-C4' energy: -48.317
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -350.210524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.210524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.210524 (E_RNA)
where:
Base-Base interactions energy: -185.476
where: short stacking energy: -105.704
Base-Backbone interact. energy: 1.330
local terms energy: -166.064592
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -59.222
flat angles C4'-P-C4' energy: -40.024
flat angles P-C4'-P energy: -26.169
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1000.585728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.585728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.585728 (E_RNA)
where:
Base-Base interactions energy: -695.944
where: short stacking energy: -297.245
Base-Backbone interact. energy: -0.531
local terms energy: -304.110612
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -59.902
flat angles C4'-P-C4' energy: -61.276
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -90.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -972.086995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.086995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.086995 (E_RNA)
where:
Base-Base interactions energy: -665.939
where: short stacking energy: -297.726
Base-Backbone interact. energy: -0.647
local terms energy: -305.501125
where:
bonds (distance) C4'-P energy: -61.724
bonds (distance) P-C4' energy: -55.203
flat angles C4'-P-C4' energy: -66.905
flat angles P-C4'-P energy: -34.755
tors. eta vs tors. theta energy: -86.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -935.529316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.529316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.529316 (E_RNA)
where:
Base-Base interactions energy: -634.334
where: short stacking energy: -287.173
Base-Backbone interact. energy: -0.568
local terms energy: -300.627105
where:
bonds (distance) C4'-P energy: -55.081
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -53.487
flat angles P-C4'-P energy: -47.222
tors. eta vs tors. theta energy: -87.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -932.424512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.424512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.424512 (E_RNA)
where:
Base-Base interactions energy: -631.615
where: short stacking energy: -271.796
Base-Backbone interact. energy: -0.284
local terms energy: -300.525818
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -66.514
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -84.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -866.688660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.688660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.688660 (E_RNA)
where:
Base-Base interactions energy: -597.298
where: short stacking energy: -264.132
Base-Backbone interact. energy: -0.055
local terms energy: -269.336118
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -55.007
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -77.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -807.027241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.027241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.027241 (E_RNA)
where:
Base-Base interactions energy: -535.188
where: short stacking energy: -234.286
Base-Backbone interact. energy: -1.732
local terms energy: -270.106559
where:
bonds (distance) C4'-P energy: -49.668
bonds (distance) P-C4' energy: -48.344
flat angles C4'-P-C4' energy: -60.640
flat angles P-C4'-P energy: -42.932
tors. eta vs tors. theta energy: -68.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -609.184958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.184958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.184958 (E_RNA)
where:
Base-Base interactions energy: -392.234
where: short stacking energy: -172.785
Base-Backbone interact. energy: -0.909
local terms energy: -216.041615
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -52.207
flat angles C4'-P-C4' energy: -43.445
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -28.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -576.438732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.438732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.438732 (E_RNA)
where:
Base-Base interactions energy: -362.004
where: short stacking energy: -163.820
Base-Backbone interact. energy: 0.295
local terms energy: -214.730364
where:
bonds (distance) C4'-P energy: -55.255
bonds (distance) P-C4' energy: -45.577
flat angles C4'-P-C4' energy: -50.463
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -393.780283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.780283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.780283 (E_RNA)
where:
Base-Base interactions energy: -215.451
where: short stacking energy: -126.178
Base-Backbone interact. energy: -1.694
local terms energy: -176.635446
where:
bonds (distance) C4'-P energy: -43.742
bonds (distance) P-C4' energy: -48.428
flat angles C4'-P-C4' energy: -51.385
flat angles P-C4'-P energy: -24.462
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -300.205067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.205067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.205067 (E_RNA)
where:
Base-Base interactions energy: -153.946
where: short stacking energy: -90.506
Base-Backbone interact. energy: 6.540
local terms energy: -152.799590
where:
bonds (distance) C4'-P energy: -48.609
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -990.385413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.385413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.385413 (E_RNA)
where:
Base-Base interactions energy: -679.746
where: short stacking energy: -288.830
Base-Backbone interact. energy: -1.500
local terms energy: -309.140118
where:
bonds (distance) C4'-P energy: -60.679
bonds (distance) P-C4' energy: -56.930
flat angles C4'-P-C4' energy: -69.536
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -83.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -992.774021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.774021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.774021 (E_RNA)
where:
Base-Base interactions energy: -679.040
where: short stacking energy: -300.876
Base-Backbone interact. energy: -0.445
local terms energy: -313.289233
where:
bonds (distance) C4'-P energy: -57.178
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -62.829
flat angles P-C4'-P energy: -48.987
tors. eta vs tors. theta energy: -90.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -953.443491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.443491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.443491 (E_RNA)
where:
Base-Base interactions energy: -663.000
where: short stacking energy: -290.878
Base-Backbone interact. energy: -0.469
local terms energy: -289.974083
where:
bonds (distance) C4'-P energy: -49.989
bonds (distance) P-C4' energy: -52.388
flat angles C4'-P-C4' energy: -63.170
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -82.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -911.961257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.961257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.961257 (E_RNA)
where:
Base-Base interactions energy: -621.153
where: short stacking energy: -266.094
Base-Backbone interact. energy: -1.314
local terms energy: -289.494910
where:
bonds (distance) C4'-P energy: -54.701
bonds (distance) P-C4' energy: -48.506
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -76.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -835.756323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.756323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.756323 (E_RNA)
where:
Base-Base interactions energy: -572.380
where: short stacking energy: -254.858
Base-Backbone interact. energy: -1.269
local terms energy: -262.106751
where:
bonds (distance) C4'-P energy: -45.635
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -69.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -833.575627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.575627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.575627 (E_RNA)
where:
Base-Base interactions energy: -558.178
where: short stacking energy: -266.594
Base-Backbone interact. energy: -1.770
local terms energy: -273.626984
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -54.702
flat angles C4'-P-C4' energy: -51.645
flat angles P-C4'-P energy: -33.665
tors. eta vs tors. theta energy: -77.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -616.532707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.532707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.532707 (E_RNA)
where:
Base-Base interactions energy: -405.843
where: short stacking energy: -176.345
Base-Backbone interact. energy: -1.237
local terms energy: -209.452770
where:
bonds (distance) C4'-P energy: -45.806
bonds (distance) P-C4' energy: -54.597
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -35.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -522.103483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.103483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.103483 (E_RNA)
where:
Base-Base interactions energy: -319.615
where: short stacking energy: -147.407
Base-Backbone interact. energy: 0.219
local terms energy: -202.706783
where:
bonds (distance) C4'-P energy: -49.421
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -50.317
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -376.029517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.029517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.029517 (E_RNA)
where:
Base-Base interactions energy: -197.151
where: short stacking energy: -93.678
Base-Backbone interact. energy: 0.258
local terms energy: -179.135823
where:
bonds (distance) C4'-P energy: -55.967
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -344.343868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.343868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.343868 (E_RNA)
where:
Base-Base interactions energy: -168.345
where: short stacking energy: -93.693
Base-Backbone interact. energy: 0.152
local terms energy: -176.151006
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -50.797
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -12.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1000.928569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.928569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.928569 (E_RNA)
where:
Base-Base interactions energy: -673.621
where: short stacking energy: -303.991
Base-Backbone interact. energy: -0.113
local terms energy: -327.195165
where:
bonds (distance) C4'-P energy: -61.433
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -50.030
tors. eta vs tors. theta energy: -93.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -977.147837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.147837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.147837 (E_RNA)
where:
Base-Base interactions energy: -689.683
where: short stacking energy: -297.557
Base-Backbone interact. energy: -1.909
local terms energy: -285.556576
where:
bonds (distance) C4'-P energy: -50.988
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -64.282
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -85.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -952.881530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.881530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.881530 (E_RNA)
where:
Base-Base interactions energy: -656.469
where: short stacking energy: -284.813
Base-Backbone interact. energy: -0.358
local terms energy: -296.055213
where:
bonds (distance) C4'-P energy: -58.455
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -59.720
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: -81.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -907.359849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.359849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.359849 (E_RNA)
where:
Base-Base interactions energy: -619.964
where: short stacking energy: -265.897
Base-Backbone interact. energy: -1.000
local terms energy: -286.395297
where:
bonds (distance) C4'-P energy: -56.973
bonds (distance) P-C4' energy: -46.269
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -43.544
tors. eta vs tors. theta energy: -80.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -834.079852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.079852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.079852 (E_RNA)
where:
Base-Base interactions energy: -552.645
where: short stacking energy: -261.482
Base-Backbone interact. energy: 0.194
local terms energy: -281.628934
where:
bonds (distance) C4'-P energy: -51.545
bonds (distance) P-C4' energy: -56.279
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -37.738
tors. eta vs tors. theta energy: -78.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -830.446498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.446498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.446498 (E_RNA)
where:
Base-Base interactions energy: -555.468
where: short stacking energy: -252.553
Base-Backbone interact. energy: -2.813
local terms energy: -272.165870
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -51.656
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -69.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -643.359172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.359172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.359172 (E_RNA)
where:
Base-Base interactions energy: -416.791
where: short stacking energy: -200.580
Base-Backbone interact. energy: -1.452
local terms energy: -225.116238
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -53.158
flat angles P-C4'-P energy: -31.133
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -500.496875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.496875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.496875 (E_RNA)
where:
Base-Base interactions energy: -313.005
where: short stacking energy: -158.508
Base-Backbone interact. energy: 0.411
local terms energy: -187.903291
where:
bonds (distance) C4'-P energy: -51.636
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -39.481
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -24.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -413.651649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.651649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.651649 (E_RNA)
where:
Base-Base interactions energy: -237.973
where: short stacking energy: -129.362
Base-Backbone interact. energy: -0.514
local terms energy: -175.165352
where:
bonds (distance) C4'-P energy: -51.556
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -44.325
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -335.318195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.318195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.318195 (E_RNA)
where:
Base-Base interactions energy: -151.265
where: short stacking energy: -95.217
Base-Backbone interact. energy: 0.227
local terms energy: -184.279558
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -45.215
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -9.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -994.477664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.477664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.477664 (E_RNA)
where:
Base-Base interactions energy: -680.080
where: short stacking energy: -309.383
Base-Backbone interact. energy: -3.075
local terms energy: -311.323249
where:
bonds (distance) C4'-P energy: -52.316
bonds (distance) P-C4' energy: -64.396
flat angles C4'-P-C4' energy: -61.716
flat angles P-C4'-P energy: -45.720
tors. eta vs tors. theta energy: -87.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -964.126161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.126161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.126161 (E_RNA)
where:
Base-Base interactions energy: -661.016
where: short stacking energy: -291.862
Base-Backbone interact. energy: 1.406
local terms energy: -304.516874
where:
bonds (distance) C4'-P energy: -58.414
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -60.140
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -89.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -930.765113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.765113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.765113 (E_RNA)
where:
Base-Base interactions energy: -622.109
where: short stacking energy: -271.838
Base-Backbone interact. energy: -0.764
local terms energy: -307.892532
where:
bonds (distance) C4'-P energy: -56.655
bonds (distance) P-C4' energy: -53.828
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -47.391
tors. eta vs tors. theta energy: -84.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -908.224572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.224572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.224572 (E_RNA)
where:
Base-Base interactions energy: -627.221
where: short stacking energy: -287.062
Base-Backbone interact. energy: -1.592
local terms energy: -279.410772
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -50.141
flat angles C4'-P-C4' energy: -63.074
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -80.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -875.904656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.904656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.904656 (E_RNA)
where:
Base-Base interactions energy: -585.474
where: short stacking energy: -259.040
Base-Backbone interact. energy: -2.127
local terms energy: -288.303606
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -57.786
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -77.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -793.108682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.108682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.108682 (E_RNA)
where:
Base-Base interactions energy: -529.568
where: short stacking energy: -230.663
Base-Backbone interact. energy: -0.339
local terms energy: -263.202289
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -37.044
tors. eta vs tors. theta energy: -76.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -651.651878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.651878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.651878 (E_RNA)
where:
Base-Base interactions energy: -414.862
where: short stacking energy: -211.864
Base-Backbone interact. energy: 0.983
local terms energy: -237.772707
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -53.791
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -57.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -500.530558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.530558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.530558 (E_RNA)
where:
Base-Base interactions energy: -307.235
where: short stacking energy: -154.545
Base-Backbone interact. energy: -1.566
local terms energy: -191.729355
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -47.081
flat angles C4'-P-C4' energy: -49.440
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -374.311627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.311627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.311627 (E_RNA)
where:
Base-Base interactions energy: -193.186
where: short stacking energy: -136.013
Base-Backbone interact. energy: 3.147
local terms energy: -184.272567
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -53.373
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -336.462297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.462297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.462297 (E_RNA)
where:
Base-Base interactions energy: -175.214
where: short stacking energy: -98.984
Base-Backbone interact. energy: 0.072
local terms energy: -161.319571
where:
bonds (distance) C4'-P energy: -27.813
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -47.767
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1019.786939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.786939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.786939 (E_RNA)
where:
Base-Base interactions energy: -695.080
where: short stacking energy: -299.921
Base-Backbone interact. energy: -1.663
local terms energy: -323.044111
where:
bonds (distance) C4'-P energy: -55.790
bonds (distance) P-C4' energy: -61.175
flat angles C4'-P-C4' energy: -60.833
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -95.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -962.269683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.269683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.269683 (E_RNA)
where:
Base-Base interactions energy: -653.111
where: short stacking energy: -288.256
Base-Backbone interact. energy: 1.007
local terms energy: -310.165892
where:
bonds (distance) C4'-P energy: -58.953
bonds (distance) P-C4' energy: -56.456
flat angles C4'-P-C4' energy: -64.416
flat angles P-C4'-P energy: -44.965
tors. eta vs tors. theta energy: -85.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -932.099381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.099381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.099381 (E_RNA)
where:
Base-Base interactions energy: -631.454
where: short stacking energy: -263.817
Base-Backbone interact. energy: -0.442
local terms energy: -300.204053
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -62.424
flat angles C4'-P-C4' energy: -62.194
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -79.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -908.402945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.402945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.402945 (E_RNA)
where:
Base-Base interactions energy: -622.216
where: short stacking energy: -276.036
Base-Backbone interact. energy: 0.076
local terms energy: -286.262945
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -57.523
flat angles P-C4'-P energy: -35.149
tors. eta vs tors. theta energy: -87.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -860.307795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.307795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.307795 (E_RNA)
where:
Base-Base interactions energy: -592.482
where: short stacking energy: -256.836
Base-Backbone interact. energy: -0.909
local terms energy: -266.916950
where:
bonds (distance) C4'-P energy: -50.940
bonds (distance) P-C4' energy: -48.300
flat angles C4'-P-C4' energy: -59.115
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -69.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -763.163165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.163165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.163165 (E_RNA)
where:
Base-Base interactions energy: -515.586
where: short stacking energy: -229.198
Base-Backbone interact. energy: -1.560
local terms energy: -246.016667
where:
bonds (distance) C4'-P energy: -47.683
bonds (distance) P-C4' energy: -38.282
flat angles C4'-P-C4' energy: -60.515
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -65.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -698.782303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.782303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.782303 (E_RNA)
where:
Base-Base interactions energy: -464.286
where: short stacking energy: -211.994
Base-Backbone interact. energy: -0.692
local terms energy: -233.803701
where:
bonds (distance) C4'-P energy: -46.384
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -46.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -508.754479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.754479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.754479 (E_RNA)
where:
Base-Base interactions energy: -297.461
where: short stacking energy: -151.479
Base-Backbone interact. energy: 0.511
local terms energy: -211.804678
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -60.103
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -37.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -358.446917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.446917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.446917 (E_RNA)
where:
Base-Base interactions energy: -185.076
where: short stacking energy: -108.201
Base-Backbone interact. energy: -0.662
local terms energy: -172.708398
where:
bonds (distance) C4'-P energy: -43.058
bonds (distance) P-C4' energy: -40.770
flat angles C4'-P-C4' energy: -59.467
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -340.744085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.744085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.744085 (E_RNA)
where:
Base-Base interactions energy: -169.240
where: short stacking energy: -103.620
Base-Backbone interact. energy: -1.410
local terms energy: -170.093898
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -981.539742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.539742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.539742 (E_RNA)
where:
Base-Base interactions energy: -661.576
where: short stacking energy: -291.738
Base-Backbone interact. energy: -0.067
local terms energy: -319.895877
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -89.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -993.291773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.291773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.291773 (E_RNA)
where:
Base-Base interactions energy: -682.405
where: short stacking energy: -301.844
Base-Backbone interact. energy: -5.122
local terms energy: -305.764287
where:
bonds (distance) C4'-P energy: -51.200
bonds (distance) P-C4' energy: -50.859
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -44.568
tors. eta vs tors. theta energy: -96.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -952.872035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.872035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.872035 (E_RNA)
where:
Base-Base interactions energy: -658.290
where: short stacking energy: -294.899
Base-Backbone interact. energy: -0.107
local terms energy: -294.474779
where:
bonds (distance) C4'-P energy: -54.030
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -69.366
flat angles P-C4'-P energy: -35.416
tors. eta vs tors. theta energy: -86.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -918.396396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.396396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.396396 (E_RNA)
where:
Base-Base interactions energy: -631.407
where: short stacking energy: -274.269
Base-Backbone interact. energy: -0.953
local terms energy: -286.036939
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -57.645
flat angles P-C4'-P energy: -44.208
tors. eta vs tors. theta energy: -78.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -820.286359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.286359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.286359 (E_RNA)
where:
Base-Base interactions energy: -547.763
where: short stacking energy: -244.306
Base-Backbone interact. energy: -1.148
local terms energy: -271.375278
where:
bonds (distance) C4'-P energy: -44.112
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -59.293
flat angles P-C4'-P energy: -42.526
tors. eta vs tors. theta energy: -74.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -802.187151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.187151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.187151 (E_RNA)
where:
Base-Base interactions energy: -545.168
where: short stacking energy: -223.732
Base-Backbone interact. energy: -1.448
local terms energy: -255.571405
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -52.375
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -66.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -729.059973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.059973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.059973 (E_RNA)
where:
Base-Base interactions energy: -483.212
where: short stacking energy: -236.241
Base-Backbone interact. energy: -0.673
local terms energy: -245.174424
where:
bonds (distance) C4'-P energy: -42.843
bonds (distance) P-C4' energy: -55.857
flat angles C4'-P-C4' energy: -48.876
flat angles P-C4'-P energy: -40.182
tors. eta vs tors. theta energy: -57.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -530.738382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.738382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.738382 (E_RNA)
where:
Base-Base interactions energy: -333.937
where: short stacking energy: -147.591
Base-Backbone interact. energy: 1.446
local terms energy: -198.247253
where:
bonds (distance) C4'-P energy: -46.032
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -39.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -377.855604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.855604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.855604 (E_RNA)
where:
Base-Base interactions energy: -210.155
where: short stacking energy: -122.488
Base-Backbone interact. energy: 1.350
local terms energy: -169.049754
where:
bonds (distance) C4'-P energy: -41.741
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -38.652
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -348.523843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.523843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.523843 (E_RNA)
where:
Base-Base interactions energy: -166.577
where: short stacking energy: -94.727
Base-Backbone interact. energy: -1.051
local terms energy: -180.896072
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -54.066
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -31.882
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -992.718594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.718594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.718594 (E_RNA)
where:
Base-Base interactions energy: -697.128
where: short stacking energy: -297.012
Base-Backbone interact. energy: -0.942
local terms energy: -294.648718
where:
bonds (distance) C4'-P energy: -51.239
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -88.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -991.709280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.709280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.709280 (E_RNA)
where:
Base-Base interactions energy: -673.472
where: short stacking energy: -295.464
Base-Backbone interact. energy: -2.188
local terms energy: -316.049880
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -54.722
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -48.226
tors. eta vs tors. theta energy: -88.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -953.481391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.481391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.481391 (E_RNA)
where:
Base-Base interactions energy: -649.269
where: short stacking energy: -293.776
Base-Backbone interact. energy: 0.295
local terms energy: -304.507514
where:
bonds (distance) C4'-P energy: -53.419
bonds (distance) P-C4' energy: -64.635
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -85.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -878.729183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.729183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.729183 (E_RNA)
where:
Base-Base interactions energy: -602.681
where: short stacking energy: -269.869
Base-Backbone interact. energy: -0.103
local terms energy: -275.945434
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -51.842
flat angles C4'-P-C4' energy: -54.695
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -82.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -813.817319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.817319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.817319 (E_RNA)
where:
Base-Base interactions energy: -566.099
where: short stacking energy: -224.380
Base-Backbone interact. energy: 2.219
local terms energy: -249.937411
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -51.551
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -72.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -792.962642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.962642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.962642 (E_RNA)
where:
Base-Base interactions energy: -525.282
where: short stacking energy: -233.024
Base-Backbone interact. energy: -3.025
local terms energy: -264.655291
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -60.518
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -64.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -711.521616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.521616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.521616 (E_RNA)
where:
Base-Base interactions energy: -495.189
where: short stacking energy: -196.400
Base-Backbone interact. energy: 0.997
local terms energy: -217.330188
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -49.129
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -58.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -605.492279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.492279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.492279 (E_RNA)
where:
Base-Base interactions energy: -393.976
where: short stacking energy: -178.389
Base-Backbone interact. energy: 1.324
local terms energy: -212.840039
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -55.946
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -38.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -382.427396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.427396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.427396 (E_RNA)
where:
Base-Base interactions energy: -206.746
where: short stacking energy: -107.789
Base-Backbone interact. energy: -0.250
local terms energy: -175.430647
where:
bonds (distance) C4'-P energy: -42.225
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -48.627
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -355.374534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.374534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.374534 (E_RNA)
where:
Base-Base interactions energy: -188.619
where: short stacking energy: -90.545
Base-Backbone interact. energy: -0.546
local terms energy: -166.209819
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -45.162
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -991.395122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.395122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.395122 (E_RNA)
where:
Base-Base interactions energy: -685.320
where: short stacking energy: -297.963
Base-Backbone interact. energy: 0.428
local terms energy: -306.502961
where:
bonds (distance) C4'-P energy: -53.081
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -39.927
tors. eta vs tors. theta energy: -94.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -991.557869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.557869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.557869 (E_RNA)
where:
Base-Base interactions energy: -690.881
where: short stacking energy: -293.389
Base-Backbone interact. energy: -0.469
local terms energy: -300.207769
where:
bonds (distance) C4'-P energy: -57.862
bonds (distance) P-C4' energy: -57.435
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -85.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -955.548778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.548778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.548778 (E_RNA)
where:
Base-Base interactions energy: -649.590
where: short stacking energy: -289.929
Base-Backbone interact. energy: 0.277
local terms energy: -306.236747
where:
bonds (distance) C4'-P energy: -63.472
bonds (distance) P-C4' energy: -58.445
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -89.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -879.389958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.389958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.389958 (E_RNA)
where:
Base-Base interactions energy: -594.663
where: short stacking energy: -265.182
Base-Backbone interact. energy: -1.112
local terms energy: -283.614851
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -52.469
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -78.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -856.226056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.226056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.226056 (E_RNA)
where:
Base-Base interactions energy: -599.831
where: short stacking energy: -273.080
Base-Backbone interact. energy: -0.769
local terms energy: -255.626269
where:
bonds (distance) C4'-P energy: -45.951
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -54.654
flat angles P-C4'-P energy: -38.599
tors. eta vs tors. theta energy: -70.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -769.237856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.237856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.237856 (E_RNA)
where:
Base-Base interactions energy: -509.553
where: short stacking energy: -211.389
Base-Backbone interact. energy: -0.718
local terms energy: -258.966757
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -37.730
tors. eta vs tors. theta energy: -51.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -724.682903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.682903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.682903 (E_RNA)
where:
Base-Base interactions energy: -480.288
where: short stacking energy: -227.770
Base-Backbone interact. energy: -0.035
local terms energy: -244.359781
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -58.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -535.915764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.915764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.915764 (E_RNA)
where:
Base-Base interactions energy: -339.909
where: short stacking energy: -158.174
Base-Backbone interact. energy: -2.214
local terms energy: -193.791968
where:
bonds (distance) C4'-P energy: -49.315
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -45.571
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -31.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -367.531387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.531387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.531387 (E_RNA)
where:
Base-Base interactions energy: -184.271
where: short stacking energy: -106.480
Base-Backbone interact. energy: 3.163
local terms energy: -186.423688
where:
bonds (distance) C4'-P energy: -51.652
bonds (distance) P-C4' energy: -42.219
flat angles C4'-P-C4' energy: -50.049
flat angles P-C4'-P energy: -31.375
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -333.878026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.878026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.878026 (E_RNA)
where:
Base-Base interactions energy: -161.908
where: short stacking energy: -97.322
Base-Backbone interact. energy: -1.485
local terms energy: -170.485625
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -45.646
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -978.976453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.976453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.976453 (E_RNA)
where:
Base-Base interactions energy: -665.326
where: short stacking energy: -279.166
Base-Backbone interact. energy: -2.201
local terms energy: -311.449649
where:
bonds (distance) C4'-P energy: -63.434
bonds (distance) P-C4' energy: -58.222
flat angles C4'-P-C4' energy: -54.038
flat angles P-C4'-P energy: -48.758
tors. eta vs tors. theta energy: -86.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -963.162787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.162787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.162787 (E_RNA)
where:
Base-Base interactions energy: -673.759
where: short stacking energy: -298.682
Base-Backbone interact. energy: -0.142
local terms energy: -289.261530
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -58.296
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -86.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -975.857457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.857457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.857457 (E_RNA)
where:
Base-Base interactions energy: -682.152
where: short stacking energy: -308.184
Base-Backbone interact. energy: -0.148
local terms energy: -293.557332
where:
bonds (distance) C4'-P energy: -43.468
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -93.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -867.936658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.936658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.936658 (E_RNA)
where:
Base-Base interactions energy: -582.939
where: short stacking energy: -247.655
Base-Backbone interact. energy: -0.629
local terms energy: -284.367823
where:
bonds (distance) C4'-P energy: -60.640
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -60.368
flat angles P-C4'-P energy: -32.063
tors. eta vs tors. theta energy: -74.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -830.276471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.276471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.276471 (E_RNA)
where:
Base-Base interactions energy: -556.823
where: short stacking energy: -244.156
Base-Backbone interact. energy: -0.470
local terms energy: -272.984200
where:
bonds (distance) C4'-P energy: -43.817
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -70.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -774.569994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.569994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.569994 (E_RNA)
where:
Base-Base interactions energy: -505.392
where: short stacking energy: -233.327
Base-Backbone interact. energy: -1.585
local terms energy: -267.593086
where:
bonds (distance) C4'-P energy: -49.696
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -57.852
flat angles P-C4'-P energy: -39.890
tors. eta vs tors. theta energy: -61.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -650.186131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.186131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.186131 (E_RNA)
where:
Base-Base interactions energy: -419.801
where: short stacking energy: -186.029
Base-Backbone interact. energy: -0.811
local terms energy: -229.573982
where:
bonds (distance) C4'-P energy: -46.129
bonds (distance) P-C4' energy: -53.098
flat angles C4'-P-C4' energy: -50.284
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -44.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -542.878539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.878539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.878539 (E_RNA)
where:
Base-Base interactions energy: -310.474
where: short stacking energy: -178.592
Base-Backbone interact. energy: -1.264
local terms energy: -231.140639
where:
bonds (distance) C4'-P energy: -49.934
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -54.543
flat angles P-C4'-P energy: -36.956
tors. eta vs tors. theta energy: -45.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -403.533431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.533431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.533431 (E_RNA)
where:
Base-Base interactions energy: -221.739
where: short stacking energy: -121.805
Base-Backbone interact. energy: 0.311
local terms energy: -182.105033
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -41.190
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -314.577139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.577139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.577139 (E_RNA)
where:
Base-Base interactions energy: -169.363
where: short stacking energy: -91.079
Base-Backbone interact. energy: -1.444
local terms energy: -143.770387
where:
bonds (distance) C4'-P energy: -37.225
bonds (distance) P-C4' energy: -52.075
flat angles C4'-P-C4' energy: -41.370
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -982.952116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.952116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.952116 (E_RNA)
where:
Base-Base interactions energy: -680.447
where: short stacking energy: -296.813
Base-Backbone interact. energy: -1.347
local terms energy: -301.157619
where:
bonds (distance) C4'-P energy: -55.416
bonds (distance) P-C4' energy: -60.053
flat angles C4'-P-C4' energy: -61.669
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -84.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -972.648691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.648691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.648691 (E_RNA)
where:
Base-Base interactions energy: -665.461
where: short stacking energy: -299.107
Base-Backbone interact. energy: -4.344
local terms energy: -302.843039
where:
bonds (distance) C4'-P energy: -53.886
bonds (distance) P-C4' energy: -55.003
flat angles C4'-P-C4' energy: -65.273
flat angles P-C4'-P energy: -40.672
tors. eta vs tors. theta energy: -88.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -989.959511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.959511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.959511 (E_RNA)
where:
Base-Base interactions energy: -682.470
where: short stacking energy: -283.515
Base-Backbone interact. energy: 0.671
local terms energy: -308.160721
where:
bonds (distance) C4'-P energy: -48.182
bonds (distance) P-C4' energy: -53.907
flat angles C4'-P-C4' energy: -64.272
flat angles P-C4'-P energy: -50.194
tors. eta vs tors. theta energy: -91.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -883.482890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.482890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.482890 (E_RNA)
where:
Base-Base interactions energy: -592.100
where: short stacking energy: -268.012
Base-Backbone interact. energy: -0.813
local terms energy: -290.570182
where:
bonds (distance) C4'-P energy: -55.564
bonds (distance) P-C4' energy: -52.623
flat angles C4'-P-C4' energy: -62.913
flat angles P-C4'-P energy: -39.718
tors. eta vs tors. theta energy: -79.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -790.432000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.432000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.432000 (E_RNA)
where:
Base-Base interactions energy: -533.904
where: short stacking energy: -240.186
Base-Backbone interact. energy: -1.450
local terms energy: -255.078027
where:
bonds (distance) C4'-P energy: -47.169
bonds (distance) P-C4' energy: -52.135
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -65.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -770.436468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.436468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.436468 (E_RNA)
where:
Base-Base interactions energy: -525.819
where: short stacking energy: -216.910
Base-Backbone interact. energy: -1.825
local terms energy: -242.792074
where:
bonds (distance) C4'-P energy: -38.186
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -57.907
flat angles P-C4'-P energy: -46.433
tors. eta vs tors. theta energy: -57.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -651.382292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.382292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.382292 (E_RNA)
where:
Base-Base interactions energy: -432.027
where: short stacking energy: -184.759
Base-Backbone interact. energy: -1.924
local terms energy: -217.431416
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -41.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -476.893643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.893643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.893643 (E_RNA)
where:
Base-Base interactions energy: -266.203
where: short stacking energy: -126.314
Base-Backbone interact. energy: 1.985
local terms energy: -212.675942
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -53.922
flat angles C4'-P-C4' energy: -51.704
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -464.514325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.514325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.514325 (E_RNA)
where:
Base-Base interactions energy: -272.151
where: short stacking energy: -129.454
Base-Backbone interact. energy: -1.886
local terms energy: -190.478093
where:
bonds (distance) C4'-P energy: -52.096
bonds (distance) P-C4' energy: -53.114
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -28.373
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -297.062033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.062033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.062033 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -85.060
Base-Backbone interact. energy: -2.642
local terms energy: -140.975984
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -48.653
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: 12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -999.790428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.790428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.790428 (E_RNA)
where:
Base-Base interactions energy: -690.794
where: short stacking energy: -289.307
Base-Backbone interact. energy: -1.444
local terms energy: -307.552561
where:
bonds (distance) C4'-P energy: -56.626
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -64.611
flat angles P-C4'-P energy: -43.427
tors. eta vs tors. theta energy: -86.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1000.351741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.351741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.351741 (E_RNA)
where:
Base-Base interactions energy: -698.366
where: short stacking energy: -306.259
Base-Backbone interact. energy: -0.266
local terms energy: -301.720408
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -44.915
flat angles C4'-P-C4' energy: -69.446
flat angles P-C4'-P energy: -52.191
tors. eta vs tors. theta energy: -86.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -983.454592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.454592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.454592 (E_RNA)
where:
Base-Base interactions energy: -694.588
where: short stacking energy: -320.398
Base-Backbone interact. energy: 1.742
local terms energy: -290.608324
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -54.132
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: -90.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -862.245979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.245979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.245979 (E_RNA)
where:
Base-Base interactions energy: -597.000
where: short stacking energy: -270.757
Base-Backbone interact. energy: 1.813
local terms energy: -267.058588
where:
bonds (distance) C4'-P energy: -38.398
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -80.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -824.599821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.599821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.599821 (E_RNA)
where:
Base-Base interactions energy: -544.245
where: short stacking energy: -254.320
Base-Backbone interact. energy: -0.887
local terms energy: -279.468135
where:
bonds (distance) C4'-P energy: -47.187
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -60.539
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -80.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -785.495586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.495586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.495586 (E_RNA)
where:
Base-Base interactions energy: -543.867
where: short stacking energy: -225.845
Base-Backbone interact. energy: -1.902
local terms energy: -239.725867
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -53.200
flat angles C4'-P-C4' energy: -51.331
flat angles P-C4'-P energy: -31.337
tors. eta vs tors. theta energy: -60.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -684.844695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.844695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.844695 (E_RNA)
where:
Base-Base interactions energy: -450.148
where: short stacking energy: -210.776
Base-Backbone interact. energy: -0.312
local terms energy: -234.384358
where:
bonds (distance) C4'-P energy: -59.297
bonds (distance) P-C4' energy: -45.866
flat angles C4'-P-C4' energy: -45.452
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: -48.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -490.213070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.213070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.213070 (E_RNA)
where:
Base-Base interactions energy: -295.586
where: short stacking energy: -145.636
Base-Backbone interact. energy: 1.639
local terms energy: -196.265756
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -46.184
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -498.588134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.588134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.588134 (E_RNA)
where:
Base-Base interactions energy: -300.904
where: short stacking energy: -145.085
Base-Backbone interact. energy: -1.603
local terms energy: -196.081137
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -48.224
flat angles C4'-P-C4' energy: -52.933
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -355.179686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.179686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.179686 (E_RNA)
where:
Base-Base interactions energy: -175.134
where: short stacking energy: -90.638
Base-Backbone interact. energy: -2.721
local terms energy: -177.324262
where:
bonds (distance) C4'-P energy: -52.909
bonds (distance) P-C4' energy: -49.068
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -990.778426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.778426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.778426 (E_RNA)
where:
Base-Base interactions energy: -664.589
where: short stacking energy: -294.315
Base-Backbone interact. energy: -0.574
local terms energy: -325.615329
where:
bonds (distance) C4'-P energy: -63.879
bonds (distance) P-C4' energy: -61.252
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -43.304
tors. eta vs tors. theta energy: -90.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -979.585682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.585682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.585682 (E_RNA)
where:
Base-Base interactions energy: -668.326
where: short stacking energy: -288.972
Base-Backbone interact. energy: -2.060
local terms energy: -309.199473
where:
bonds (distance) C4'-P energy: -54.818
bonds (distance) P-C4' energy: -64.153
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -46.799
tors. eta vs tors. theta energy: -86.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -988.950967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.950967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.950967 (E_RNA)
where:
Base-Base interactions energy: -673.835
where: short stacking energy: -294.909
Base-Backbone interact. energy: -2.023
local terms energy: -313.093724
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -67.378
flat angles C4'-P-C4' energy: -63.818
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -88.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -906.785660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.785660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.785660 (E_RNA)
where:
Base-Base interactions energy: -609.880
where: short stacking energy: -274.081
Base-Backbone interact. energy: 0.258
local terms energy: -297.163325
where:
bonds (distance) C4'-P energy: -59.217
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -42.991
tors. eta vs tors. theta energy: -79.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -806.105153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.105153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.105153 (E_RNA)
where:
Base-Base interactions energy: -544.778
where: short stacking energy: -230.230
Base-Backbone interact. energy: 0.672
local terms energy: -261.998935
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -56.939
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -783.010306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.010306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.010306 (E_RNA)
where:
Base-Base interactions energy: -523.658
where: short stacking energy: -266.000
Base-Backbone interact. energy: -0.497
local terms energy: -258.855572
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -35.936
tors. eta vs tors. theta energy: -80.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -644.631728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.631728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.631728 (E_RNA)
where:
Base-Base interactions energy: -433.223
where: short stacking energy: -187.005
Base-Backbone interact. energy: -1.566
local terms energy: -209.843262
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -51.496
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: -41.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -493.749618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.749618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.749618 (E_RNA)
where:
Base-Base interactions energy: -289.602
where: short stacking energy: -139.062
Base-Backbone interact. energy: 1.887
local terms energy: -206.034743
where:
bonds (distance) C4'-P energy: -49.208
bonds (distance) P-C4' energy: -50.940
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -480.015851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.015851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.015851 (E_RNA)
where:
Base-Base interactions energy: -284.454
where: short stacking energy: -146.114
Base-Backbone interact. energy: -0.052
local terms energy: -195.509749
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -41.995
flat angles C4'-P-C4' energy: -53.670
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -314.949250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.949250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.949250 (E_RNA)
where:
Base-Base interactions energy: -159.825
where: short stacking energy: -102.510
Base-Backbone interact. energy: 2.244
local terms energy: -157.368754
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -996.683474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.683474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.683474 (E_RNA)
where:
Base-Base interactions energy: -676.033
where: short stacking energy: -294.974
Base-Backbone interact. energy: -0.491
local terms energy: -320.160022
where:
bonds (distance) C4'-P energy: -60.879
bonds (distance) P-C4' energy: -64.623
flat angles C4'-P-C4' energy: -61.691
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -87.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1017.547410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.547410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.547410 (E_RNA)
where:
Base-Base interactions energy: -708.536
where: short stacking energy: -312.508
Base-Backbone interact. energy: -0.239
local terms energy: -308.772985
where:
bonds (distance) C4'-P energy: -59.882
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -68.325
flat angles P-C4'-P energy: -42.030
tors. eta vs tors. theta energy: -87.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -952.309729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.309729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.309729 (E_RNA)
where:
Base-Base interactions energy: -653.036
where: short stacking energy: -282.373
Base-Backbone interact. energy: -0.433
local terms energy: -298.841166
where:
bonds (distance) C4'-P energy: -54.256
bonds (distance) P-C4' energy: -54.077
flat angles C4'-P-C4' energy: -58.456
flat angles P-C4'-P energy: -48.159
tors. eta vs tors. theta energy: -83.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -899.693718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.693718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.693718 (E_RNA)
where:
Base-Base interactions energy: -628.993
where: short stacking energy: -271.677
Base-Backbone interact. energy: -1.441
local terms energy: -269.259711
where:
bonds (distance) C4'-P energy: -49.899
bonds (distance) P-C4' energy: -44.573
flat angles C4'-P-C4' energy: -58.579
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -82.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -809.909063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.909063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.909063 (E_RNA)
where:
Base-Base interactions energy: -552.175
where: short stacking energy: -224.160
Base-Backbone interact. energy: -0.829
local terms energy: -256.905166
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -53.730
flat angles C4'-P-C4' energy: -55.549
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -67.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -772.853512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.853512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.853512 (E_RNA)
where:
Base-Base interactions energy: -514.207
where: short stacking energy: -228.821
Base-Backbone interact. energy: -0.648
local terms energy: -257.998711
where:
bonds (distance) C4'-P energy: -46.256
bonds (distance) P-C4' energy: -50.851
flat angles C4'-P-C4' energy: -56.464
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -66.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -699.299613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.299613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.299613 (E_RNA)
where:
Base-Base interactions energy: -483.083
where: short stacking energy: -207.685
Base-Backbone interact. energy: -0.359
local terms energy: -215.857363
where:
bonds (distance) C4'-P energy: -44.929
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -47.718
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -40.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -518.904041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.904041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.904041 (E_RNA)
where:
Base-Base interactions energy: -304.437
where: short stacking energy: -143.667
Base-Backbone interact. energy: -1.216
local terms energy: -213.251083
where:
bonds (distance) C4'-P energy: -53.041
bonds (distance) P-C4' energy: -46.057
flat angles C4'-P-C4' energy: -47.848
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -31.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -488.588962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.588962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.588962 (E_RNA)
where:
Base-Base interactions energy: -297.011
where: short stacking energy: -152.383
Base-Backbone interact. energy: -1.152
local terms energy: -190.425772
where:
bonds (distance) C4'-P energy: -44.806
bonds (distance) P-C4' energy: -42.175
flat angles C4'-P-C4' energy: -48.044
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -25.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -343.649332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.649332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.649332 (E_RNA)
where:
Base-Base interactions energy: -165.045
where: short stacking energy: -92.135
Base-Backbone interact. energy: -0.904
local terms energy: -177.700287
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -50.154
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1004.632584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.632584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.632584 (E_RNA)
where:
Base-Base interactions energy: -690.985
where: short stacking energy: -313.036
Base-Backbone interact. energy: 0.246
local terms energy: -313.893357
where:
bonds (distance) C4'-P energy: -58.974
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -65.255
flat angles P-C4'-P energy: -42.291
tors. eta vs tors. theta energy: -92.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -965.150636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.150636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.150636 (E_RNA)
where:
Base-Base interactions energy: -652.648
where: short stacking energy: -282.597
Base-Backbone interact. energy: -0.747
local terms energy: -311.754821
where:
bonds (distance) C4'-P energy: -60.847
bonds (distance) P-C4' energy: -51.768
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -82.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -955.867100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.867100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.867100 (E_RNA)
where:
Base-Base interactions energy: -638.147
where: short stacking energy: -285.100
Base-Backbone interact. energy: -2.358
local terms energy: -315.362352
where:
bonds (distance) C4'-P energy: -64.398
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: -90.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -881.876960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.876960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.876960 (E_RNA)
where:
Base-Base interactions energy: -601.382
where: short stacking energy: -260.445
Base-Backbone interact. energy: 0.882
local terms energy: -281.377492
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -61.726
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -71.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -835.209064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.209064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.209064 (E_RNA)
where:
Base-Base interactions energy: -562.153
where: short stacking energy: -245.762
Base-Backbone interact. energy: 0.020
local terms energy: -273.075941
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -71.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -752.521609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.521609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.521609 (E_RNA)
where:
Base-Base interactions energy: -499.004
where: short stacking energy: -224.118
Base-Backbone interact. energy: -0.543
local terms energy: -252.975147
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -52.532
flat angles C4'-P-C4' energy: -51.770
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -64.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -635.141032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.141032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.141032 (E_RNA)
where:
Base-Base interactions energy: -414.549
where: short stacking energy: -182.031
Base-Backbone interact. energy: -2.063
local terms energy: -218.529268
where:
bonds (distance) C4'-P energy: -50.199
bonds (distance) P-C4' energy: -45.695
flat angles C4'-P-C4' energy: -47.049
flat angles P-C4'-P energy: -34.697
tors. eta vs tors. theta energy: -40.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -559.329804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.329804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.329804 (E_RNA)
where:
Base-Base interactions energy: -346.426
where: short stacking energy: -168.932
Base-Backbone interact. energy: -1.198
local terms energy: -211.706272
where:
bonds (distance) C4'-P energy: -53.201
bonds (distance) P-C4' energy: -40.798
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -46.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -469.537250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.537250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.537250 (E_RNA)
where:
Base-Base interactions energy: -274.830
where: short stacking energy: -119.942
Base-Backbone interact. energy: 0.541
local terms energy: -195.248593
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -52.288
flat angles C4'-P-C4' energy: -41.477
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -244.980144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.980144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.980144 (E_RNA)
where:
Base-Base interactions energy: -92.117
where: short stacking energy: -62.582
Base-Backbone interact. energy: 0.532
local terms energy: -153.395163
where:
bonds (distance) C4'-P energy: -51.955
bonds (distance) P-C4' energy: -36.940
flat angles C4'-P-C4' energy: -43.634
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: 13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1010.285827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.285827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.285827 (E_RNA)
where:
Base-Base interactions energy: -698.040
where: short stacking energy: -295.395
Base-Backbone interact. energy: -0.322
local terms energy: -311.923786
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -61.123
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -89.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -951.740990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.740990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.740990 (E_RNA)
where:
Base-Base interactions energy: -643.829
where: short stacking energy: -283.306
Base-Backbone interact. energy: -1.185
local terms energy: -306.727070
where:
bonds (distance) C4'-P energy: -47.926
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -42.884
tors. eta vs tors. theta energy: -90.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -946.788338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.788338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.788338 (E_RNA)
where:
Base-Base interactions energy: -659.624
where: short stacking energy: -286.316
Base-Backbone interact. energy: 1.028
local terms energy: -288.193197
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -30.238
tors. eta vs tors. theta energy: -89.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -874.728814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.728814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.728814 (E_RNA)
where:
Base-Base interactions energy: -589.389
where: short stacking energy: -272.336
Base-Backbone interact. energy: 1.935
local terms energy: -287.274196
where:
bonds (distance) C4'-P energy: -55.158
bonds (distance) P-C4' energy: -34.782
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -93.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -909.572839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.572839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.572839 (E_RNA)
where:
Base-Base interactions energy: -627.909
where: short stacking energy: -275.166
Base-Backbone interact. energy: -0.424
local terms energy: -281.239753
where:
bonds (distance) C4'-P energy: -53.982
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -56.522
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -83.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -765.513471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.513471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.513471 (E_RNA)
where:
Base-Base interactions energy: -516.571
where: short stacking energy: -198.674
Base-Backbone interact. energy: -2.823
local terms energy: -246.118974
where:
bonds (distance) C4'-P energy: -52.765
bonds (distance) P-C4' energy: -46.964
flat angles C4'-P-C4' energy: -52.655
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -56.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -709.023029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.023029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.023029 (E_RNA)
where:
Base-Base interactions energy: -481.126
where: short stacking energy: -219.732
Base-Backbone interact. energy: -1.097
local terms energy: -226.799480
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -50.839
flat angles C4'-P-C4' energy: -47.696
flat angles P-C4'-P energy: -32.397
tors. eta vs tors. theta energy: -58.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -530.324807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.324807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.324807 (E_RNA)
where:
Base-Base interactions energy: -317.139
where: short stacking energy: -156.813
Base-Backbone interact. energy: -0.713
local terms energy: -212.472831
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -51.555
flat angles C4'-P-C4' energy: -44.095
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -41.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -489.954406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.954406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.954406 (E_RNA)
where:
Base-Base interactions energy: -319.228
where: short stacking energy: -160.712
Base-Backbone interact. energy: 0.176
local terms energy: -170.902897
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -45.160
flat angles C4'-P-C4' energy: -42.123
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -237.811128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.811128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.811128 (E_RNA)
where:
Base-Base interactions energy: -91.186
where: short stacking energy: -87.303
Base-Backbone interact. energy: -0.779
local terms energy: -145.845818
where:
bonds (distance) C4'-P energy: -37.993
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -41.587
flat angles P-C4'-P energy: -26.173
tors. eta vs tors. theta energy: 11.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1021.107877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.107877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.107877 (E_RNA)
where:
Base-Base interactions energy: -708.631
where: short stacking energy: -305.624
Base-Backbone interact. energy: 1.062
local terms energy: -313.538821
where:
bonds (distance) C4'-P energy: -57.198
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -64.700
flat angles P-C4'-P energy: -45.544
tors. eta vs tors. theta energy: -93.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -971.673439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.673439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.673439 (E_RNA)
where:
Base-Base interactions energy: -653.202
where: short stacking energy: -292.166
Base-Backbone interact. energy: -2.169
local terms energy: -316.302397
where:
bonds (distance) C4'-P energy: -53.428
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -50.788
tors. eta vs tors. theta energy: -88.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -963.411930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.411930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.411930 (E_RNA)
where:
Base-Base interactions energy: -657.498
where: short stacking energy: -295.343
Base-Backbone interact. energy: 2.219
local terms energy: -308.133131
where:
bonds (distance) C4'-P energy: -58.157
bonds (distance) P-C4' energy: -53.794
flat angles C4'-P-C4' energy: -63.009
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -92.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -897.056269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.056269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.056269 (E_RNA)
where:
Base-Base interactions energy: -611.196
where: short stacking energy: -277.000
Base-Backbone interact. energy: -0.106
local terms energy: -285.754048
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -52.300
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -88.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -878.552286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.552286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.552286 (E_RNA)
where:
Base-Base interactions energy: -593.887
where: short stacking energy: -273.019
Base-Backbone interact. energy: -0.083
local terms energy: -284.582789
where:
bonds (distance) C4'-P energy: -57.137
bonds (distance) P-C4' energy: -52.500
flat angles C4'-P-C4' energy: -57.376
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -81.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -766.128228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.128228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.128228 (E_RNA)
where:
Base-Base interactions energy: -528.417
where: short stacking energy: -216.764
Base-Backbone interact. energy: -0.636
local terms energy: -237.074801
where:
bonds (distance) C4'-P energy: -49.510
bonds (distance) P-C4' energy: -45.239
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -36.764
tors. eta vs tors. theta energy: -53.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -673.269290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.269290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.269290 (E_RNA)
where:
Base-Base interactions energy: -451.383
where: short stacking energy: -190.209
Base-Backbone interact. energy: 0.363
local terms energy: -222.249317
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -43.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -521.630320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.630320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.630320 (E_RNA)
where:
Base-Base interactions energy: -314.673
where: short stacking energy: -146.670
Base-Backbone interact. energy: -1.267
local terms energy: -205.690692
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -46.529
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -37.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -466.760042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.760042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.760042 (E_RNA)
where:
Base-Base interactions energy: -259.705
where: short stacking energy: -132.560
Base-Backbone interact. energy: -1.087
local terms energy: -205.968070
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -256.984037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.984037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.984037 (E_RNA)
where:
Base-Base interactions energy: -130.431
where: short stacking energy: -89.744
Base-Backbone interact. energy: -0.138
local terms energy: -126.415295
where:
bonds (distance) C4'-P energy: -43.435
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -41.106
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: 1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1004.901547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.901547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.901547 (E_RNA)
where:
Base-Base interactions energy: -709.637
where: short stacking energy: -304.973
Base-Backbone interact. energy: 0.031
local terms energy: -295.295151
where:
bonds (distance) C4'-P energy: -51.766
bonds (distance) P-C4' energy: -56.937
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -42.972
tors. eta vs tors. theta energy: -86.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -960.958390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.958390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.958390 (E_RNA)
where:
Base-Base interactions energy: -652.423
where: short stacking energy: -286.942
Base-Backbone interact. energy: -0.564
local terms energy: -307.971341
where:
bonds (distance) C4'-P energy: -54.088
bonds (distance) P-C4' energy: -57.068
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -88.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -980.209422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.209422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.209422 (E_RNA)
where:
Base-Base interactions energy: -665.875
where: short stacking energy: -295.253
Base-Backbone interact. energy: -1.503
local terms energy: -312.831169
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -59.134
flat angles C4'-P-C4' energy: -62.702
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -902.765831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.765831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.765831 (E_RNA)
where:
Base-Base interactions energy: -610.527
where: short stacking energy: -273.410
Base-Backbone interact. energy: -0.187
local terms energy: -292.051220
where:
bonds (distance) C4'-P energy: -46.216
bonds (distance) P-C4' energy: -58.111
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -85.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -904.685932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.685932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.685932 (E_RNA)
where:
Base-Base interactions energy: -618.434
where: short stacking energy: -288.696
Base-Backbone interact. energy: -0.454
local terms energy: -285.798054
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -55.381
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -41.106
tors. eta vs tors. theta energy: -88.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -795.075025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.075025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.075025 (E_RNA)
where:
Base-Base interactions energy: -528.867
where: short stacking energy: -235.372
Base-Backbone interact. energy: -1.130
local terms energy: -265.077854
where:
bonds (distance) C4'-P energy: -42.529
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -68.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -666.790412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.790412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.790412 (E_RNA)
where:
Base-Base interactions energy: -432.210
where: short stacking energy: -198.444
Base-Backbone interact. energy: -0.651
local terms energy: -233.930160
where:
bonds (distance) C4'-P energy: -49.919
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -49.813
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -47.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -540.352026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.352026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.352026 (E_RNA)
where:
Base-Base interactions energy: -319.891
where: short stacking energy: -170.738
Base-Backbone interact. energy: 0.675
local terms energy: -221.136577
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -51.900
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -34.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -483.392925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.392925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.392925 (E_RNA)
where:
Base-Base interactions energy: -287.758
where: short stacking energy: -142.850
Base-Backbone interact. energy: 1.130
local terms energy: -196.765384
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -29.440
tors. eta vs tors. theta energy: -36.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -239.890094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.890094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.890094 (E_RNA)
where:
Base-Base interactions energy: -85.755
where: short stacking energy: -71.675
Base-Backbone interact. energy: 1.023
local terms energy: -155.158913
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -38.802
flat angles C4'-P-C4' energy: -35.892
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -991.466187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.466187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.466187 (E_RNA)
where:
Base-Base interactions energy: -697.667
where: short stacking energy: -287.897
Base-Backbone interact. energy: -1.000
local terms energy: -292.799656
where:
bonds (distance) C4'-P energy: -55.256
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -65.977
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -81.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -973.920300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.920300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.920300 (E_RNA)
where:
Base-Base interactions energy: -674.859
where: short stacking energy: -301.532
Base-Backbone interact. energy: -2.225
local terms energy: -296.835838
where:
bonds (distance) C4'-P energy: -41.676
bonds (distance) P-C4' energy: -57.206
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -90.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -969.765534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.765534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.765534 (E_RNA)
where:
Base-Base interactions energy: -676.393
where: short stacking energy: -295.596
Base-Backbone interact. energy: -0.190
local terms energy: -293.181692
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -61.236
flat angles P-C4'-P energy: -41.978
tors. eta vs tors. theta energy: -94.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -899.873680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.873680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.873680 (E_RNA)
where:
Base-Base interactions energy: -619.532
where: short stacking energy: -281.460
Base-Backbone interact. energy: 0.142
local terms energy: -280.483505
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -48.510
flat angles C4'-P-C4' energy: -54.143
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -78.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -854.241281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.241281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.241281 (E_RNA)
where:
Base-Base interactions energy: -578.752
where: short stacking energy: -270.481
Base-Backbone interact. energy: 2.674
local terms energy: -278.163363
where:
bonds (distance) C4'-P energy: -42.392
bonds (distance) P-C4' energy: -53.097
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -40.639
tors. eta vs tors. theta energy: -84.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -811.611571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.611571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.611571 (E_RNA)
where:
Base-Base interactions energy: -541.999
where: short stacking energy: -238.680
Base-Backbone interact. energy: 2.894
local terms energy: -272.506683
where:
bonds (distance) C4'-P energy: -54.387
bonds (distance) P-C4' energy: -58.102
flat angles C4'-P-C4' energy: -54.731
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: -69.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -705.459806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.459806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.459806 (E_RNA)
where:
Base-Base interactions energy: -468.091
where: short stacking energy: -202.035
Base-Backbone interact. energy: 0.636
local terms energy: -238.005305
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -50.293
flat angles C4'-P-C4' energy: -57.338
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -50.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -561.367182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.367182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.367182 (E_RNA)
where:
Base-Base interactions energy: -360.229
where: short stacking energy: -184.389
Base-Backbone interact. energy: -0.337
local terms energy: -200.801947
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -39.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -495.754711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.754711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.754711 (E_RNA)
where:
Base-Base interactions energy: -294.817
where: short stacking energy: -138.054
Base-Backbone interact. energy: -1.532
local terms energy: -199.406119
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -46.005
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -261.558787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.558787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.558787 (E_RNA)
where:
Base-Base interactions energy: -85.596
where: short stacking energy: -85.250
Base-Backbone interact. energy: 1.244
local terms energy: -177.207065
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -46.108
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -992.934632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.934632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.934632 (E_RNA)
where:
Base-Base interactions energy: -685.915
where: short stacking energy: -305.748
Base-Backbone interact. energy: -1.275
local terms energy: -305.744660
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -60.488
flat angles C4'-P-C4' energy: -60.720
flat angles P-C4'-P energy: -43.118
tors. eta vs tors. theta energy: -90.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -961.194595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.194595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.194595 (E_RNA)
where:
Base-Base interactions energy: -663.498
where: short stacking energy: -292.920
Base-Backbone interact. energy: -1.502
local terms energy: -296.194966
where:
bonds (distance) C4'-P energy: -56.238
bonds (distance) P-C4' energy: -55.380
flat angles C4'-P-C4' energy: -67.189
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -81.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -949.172629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.172629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.172629 (E_RNA)
where:
Base-Base interactions energy: -652.353
where: short stacking energy: -294.488
Base-Backbone interact. energy: -0.145
local terms energy: -296.673980
where:
bonds (distance) C4'-P energy: -45.456
bonds (distance) P-C4' energy: -54.566
flat angles C4'-P-C4' energy: -65.291
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -94.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -892.487122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.487122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.487122 (E_RNA)
where:
Base-Base interactions energy: -610.007
where: short stacking energy: -278.479
Base-Backbone interact. energy: -0.682
local terms energy: -281.797451
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -54.329
flat angles C4'-P-C4' energy: -59.410
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -89.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -849.139455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.139455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.139455 (E_RNA)
where:
Base-Base interactions energy: -590.576
where: short stacking energy: -285.836
Base-Backbone interact. energy: -0.193
local terms energy: -258.369550
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -44.470
flat angles C4'-P-C4' energy: -52.070
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -87.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -792.132949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.132949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.132949 (E_RNA)
where:
Base-Base interactions energy: -535.117
where: short stacking energy: -220.742
Base-Backbone interact. energy: -0.576
local terms energy: -256.440075
where:
bonds (distance) C4'-P energy: -37.479
bonds (distance) P-C4' energy: -48.762
flat angles C4'-P-C4' energy: -63.161
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -70.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -692.281132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.281132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.281132 (E_RNA)
where:
Base-Base interactions energy: -451.958
where: short stacking energy: -195.356
Base-Backbone interact. energy: -0.654
local terms energy: -239.668816
where:
bonds (distance) C4'-P energy: -41.704
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -53.469
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: -55.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -493.045472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.045472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.045472 (E_RNA)
where:
Base-Base interactions energy: -301.718
where: short stacking energy: -139.762
Base-Backbone interact. energy: -0.501
local terms energy: -190.825511
where:
bonds (distance) C4'-P energy: -42.679
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -48.733
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -484.001715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.001715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.001715 (E_RNA)
where:
Base-Base interactions energy: -298.152
where: short stacking energy: -145.294
Base-Backbone interact. energy: -1.312
local terms energy: -184.537125
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -53.443
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -23.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -236.935270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.935270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.935270 (E_RNA)
where:
Base-Base interactions energy: -66.218
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.559
local terms energy: -170.158254
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -59.121
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -36.934
tors. eta vs tors. theta energy: 10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1006.958204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.958204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.958204 (E_RNA)
where:
Base-Base interactions energy: -694.724
where: short stacking energy: -293.892
Base-Backbone interact. energy: 3.064
local terms energy: -315.298940
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -46.214
tors. eta vs tors. theta energy: -94.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -957.759343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.759343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.759343 (E_RNA)
where:
Base-Base interactions energy: -669.866
where: short stacking energy: -290.393
Base-Backbone interact. energy: -0.287
local terms energy: -287.606541
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -48.697
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -42.570
tors. eta vs tors. theta energy: -79.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -965.910633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.910633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.910633 (E_RNA)
where:
Base-Base interactions energy: -674.844
where: short stacking energy: -286.478
Base-Backbone interact. energy: -0.523
local terms energy: -290.543006
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -71.851
flat angles P-C4'-P energy: -40.327
tors. eta vs tors. theta energy: -92.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -888.561425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.561425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.561425 (E_RNA)
where:
Base-Base interactions energy: -603.340
where: short stacking energy: -271.986
Base-Backbone interact. energy: -1.157
local terms energy: -284.064741
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -61.320
flat angles C4'-P-C4' energy: -56.783
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -75.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -821.449785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.449785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.449785 (E_RNA)
where:
Base-Base interactions energy: -559.233
where: short stacking energy: -230.453
Base-Backbone interact. energy: -1.702
local terms energy: -260.514786
where:
bonds (distance) C4'-P energy: -41.428
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -65.265
flat angles P-C4'-P energy: -40.590
tors. eta vs tors. theta energy: -74.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -831.104392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.104392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.104392 (E_RNA)
where:
Base-Base interactions energy: -558.413
where: short stacking energy: -259.452
Base-Backbone interact. energy: -2.549
local terms energy: -270.142088
where:
bonds (distance) C4'-P energy: -57.432
bonds (distance) P-C4' energy: -40.215
flat angles C4'-P-C4' energy: -55.670
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -83.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -711.488001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.488001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.488001 (E_RNA)
where:
Base-Base interactions energy: -476.144
where: short stacking energy: -197.155
Base-Backbone interact. energy: -1.491
local terms energy: -233.853090
where:
bonds (distance) C4'-P energy: -45.345
bonds (distance) P-C4' energy: -52.102
flat angles C4'-P-C4' energy: -51.739
flat angles P-C4'-P energy: -39.600
tors. eta vs tors. theta energy: -45.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -494.781317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.781317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.781317 (E_RNA)
where:
Base-Base interactions energy: -303.840
where: short stacking energy: -150.521
Base-Backbone interact. energy: 0.930
local terms energy: -191.871217
where:
bonds (distance) C4'-P energy: -50.219
bonds (distance) P-C4' energy: -34.876
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -27.780
tors. eta vs tors. theta energy: -36.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -467.603541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.603541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.603541 (E_RNA)
where:
Base-Base interactions energy: -271.678
where: short stacking energy: -126.026
Base-Backbone interact. energy: -1.638
local terms energy: -194.288477
where:
bonds (distance) C4'-P energy: -44.397
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -47.330
flat angles P-C4'-P energy: -35.778
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -278.427343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.427343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.427343 (E_RNA)
where:
Base-Base interactions energy: -120.890
where: short stacking energy: -81.340
Base-Backbone interact. energy: 2.191
local terms energy: -159.728471
where:
bonds (distance) C4'-P energy: -50.397
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1009.845816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.845816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.845816 (E_RNA)
where:
Base-Base interactions energy: -683.235
where: short stacking energy: -306.143
Base-Backbone interact. energy: -2.434
local terms energy: -324.177201
where:
bonds (distance) C4'-P energy: -61.499
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -66.498
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -92.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -984.512948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.512948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.512948 (E_RNA)
where:
Base-Base interactions energy: -677.703
where: short stacking energy: -291.909
Base-Backbone interact. energy: -0.022
local terms energy: -306.788259
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -51.134
flat angles C4'-P-C4' energy: -63.580
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -94.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -944.969656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.969656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.969656 (E_RNA)
where:
Base-Base interactions energy: -643.383
where: short stacking energy: -258.301
Base-Backbone interact. energy: -0.261
local terms energy: -301.326466
where:
bonds (distance) C4'-P energy: -60.909
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -61.999
flat angles P-C4'-P energy: -46.305
tors. eta vs tors. theta energy: -84.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -882.970192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.970192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.970192 (E_RNA)
where:
Base-Base interactions energy: -603.357
where: short stacking energy: -262.781
Base-Backbone interact. energy: -1.413
local terms energy: -278.200179
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -47.956
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: -73.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -837.459753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.459753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.459753 (E_RNA)
where:
Base-Base interactions energy: -573.077
where: short stacking energy: -245.183
Base-Backbone interact. energy: -0.503
local terms energy: -263.879721
where:
bonds (distance) C4'-P energy: -46.140
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -59.434
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -66.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -795.452977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.452977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.452977 (E_RNA)
where:
Base-Base interactions energy: -538.180
where: short stacking energy: -240.865
Base-Backbone interact. energy: -0.701
local terms energy: -256.572164
where:
bonds (distance) C4'-P energy: -52.296
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -55.774
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -56.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -667.998645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.998645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.998645 (E_RNA)
where:
Base-Base interactions energy: -442.833
where: short stacking energy: -201.343
Base-Backbone interact. energy: -0.075
local terms energy: -225.090740
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -61.928
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -39.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -503.883926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.883926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.883926 (E_RNA)
where:
Base-Base interactions energy: -283.708
where: short stacking energy: -146.323
Base-Backbone interact. energy: -1.978
local terms energy: -218.197934
where:
bonds (distance) C4'-P energy: -45.083
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -57.540
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: -32.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -461.306390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.306390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.306390 (E_RNA)
where:
Base-Base interactions energy: -286.591
where: short stacking energy: -146.561
Base-Backbone interact. energy: -1.714
local terms energy: -173.001337
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -45.371
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -313.632007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.632007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.632007 (E_RNA)
where:
Base-Base interactions energy: -151.712
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.659
local terms energy: -161.261068
where:
bonds (distance) C4'-P energy: -45.899
bonds (distance) P-C4' energy: -47.247
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/6XRZ-576f685d_01
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1023.527519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.527519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.527519 (E_RNA)
where:
Base-Base interactions energy: -708.917
where: short stacking energy: -304.371
Base-Backbone interact. energy: -1.474
local terms energy: -313.136636
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -57.309
flat angles C4'-P-C4' energy: -68.047
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -91.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -950.154907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.154907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.154907 (E_RNA)
where:
Base-Base interactions energy: -641.909
where: short stacking energy: -293.675
Base-Backbone interact. energy: -0.313
local terms energy: -307.932359
where:
bonds (distance) C4'-P energy: -57.863
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -62.908
flat angles P-C4'-P energy: -43.219
tors. eta vs tors. theta energy: -92.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -944.628003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.628003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.628003 (E_RNA)
where:
Base-Base interactions energy: -644.135
where: short stacking energy: -277.972
Base-Backbone interact. energy: -0.492
local terms energy: -300.000942
where:
bonds (distance) C4'-P energy: -51.440
bonds (distance) P-C4' energy: -64.703
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -42.596
tors. eta vs tors. theta energy: -83.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -886.627757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.627757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.627757 (E_RNA)
where:
Base-Base interactions energy: -607.362
where: short stacking energy: -266.572
Base-Backbone interact. energy: -1.317
local terms energy: -277.948911
where:
bonds (distance) C4'-P energy: -54.965
bonds (distance) P-C4' energy: -48.739
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -38.368
tors. eta vs tors. theta energy: -74.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -860.803631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.803631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.803631 (E_RNA)
where:
Base-Base interactions energy: -581.865
where: short stacking energy: -267.289
Base-Backbone interact. energy: -0.714
local terms energy: -278.224892
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -59.356
flat angles P-C4'-P energy: -36.018
tors. eta vs tors. theta energy: -83.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -828.217157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.217157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.217157 (E_RNA)
where:
Base-Base interactions energy: -579.434
where: short stacking energy: -260.007
Base-Backbone interact. energy: -0.739
local terms energy: -248.044089
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -52.622
flat angles C4'-P-C4' energy: -40.492
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -76.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -628.945705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.945705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.945705 (E_RNA)
where:
Base-Base interactions energy: -403.810
where: short stacking energy: -171.297
Base-Backbone interact. energy: -1.614
local terms energy: -223.522147
where:
bonds (distance) C4'-P energy: -45.454
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -42.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -485.620481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.620481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.620481 (E_RNA)
where:
Base-Base interactions energy: -287.736
where: short stacking energy: -156.326
Base-Backbone interact. energy: -0.991
local terms energy: -196.893187
where:
bonds (distance) C4'-P energy: -44.379
bonds (distance) P-C4' energy: -44.340
flat angles C4'-P-C4' energy: -53.246
flat angles P-C4'-P energy: -27.689
tors. eta vs tors. theta energy: -27.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -475.847922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.847922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.847922 (E_RNA)
where:
Base-Base interactions energy: -283.421
where: short stacking energy: -158.085
Base-Backbone interact. energy: -1.047
local terms energy: -191.379698
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -50.422
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -297.724791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.724791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.724791 (E_RNA)
where:
Base-Base interactions energy: -143.520
where: short stacking energy: -91.200
Base-Backbone interact. energy: 0.822
local terms energy: -155.027496
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -47.395
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: 5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE